Compounds

ALA2286100

Name:
N-(2,3-dimethoxybenzyl)-4,5-dihydrooxazol-2-amine

Mol. Formula:
C12H16N2O3

M.W.:
236.27

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
52.08

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2286099

Name:
N-(4-methoxybenzyl)-4,5-dihydrooxazol-2-amine

Cas Number:
101932-35-8

Mol. Formula:
C11H14N2O2

M.W.:
206.25

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.17

Polar Surface Area:
42.85

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2286098

Name:
N-(4-(trifluoromethyl)benzyl)-4,5-dihydrooxazol-2-
Show More⌵

Mol. Formula:
C11H11F3N2O

M.W.:
244.22

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.86

DETAILS

ALA2286097

Name:
N-(4-methylbenzyl)-4,5-dihydrooxazol-2-amine

Mol. Formula:
C11H14N2O

M.W.:
190.25

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA2286096

Name:
N-(4-fluorobenzyl)-4,5-dihydrooxazol-2-amine

Mol. Formula:
C10H11FN2O

M.W.:
194.21

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA2286095

Name:
N-(4-chlorobenzyl)-4,5-dihydrooxazol-2-amine

Mol. Formula:
C10H11ClN2O

M.W.:
210.66

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA2286094

Name:
N-(3-nitrobenzyl)-4,5-dihydrooxazol-2-amine

Mol. Formula:
C10H11N3O3

M.W.:
221.22

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.07

Polar Surface Area:
76.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2286093

Name:
N-(3-methoxybenzyl)-4,5-dihydrooxazol-2-amine

Mol. Formula:
C11H14N2O2

M.W.:
206.25

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.17

Polar Surface Area:
42.85

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2286092

Name:
N-(3-(trifluoromethyl)benzyl)-4,5-dihydrooxazol-2-
Show More⌵

Mol. Formula:
C11H11F3N2O

M.W.:
244.22

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.86

DETAILS

ALA2286091

Name:
N-(3-methylbenzyl)-4,5-dihydrooxazol-2-amine

Mol. Formula:
C11H14N2O

M.W.:
190.25

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA2286090

Name:
N-(3-chlorobenzyl)-4,5-dihydrooxazol-2-amine

Mol. Formula:
C10H11ClN2O

M.W.:
210.66

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA2286089

Name:
N-(2-methoxybenzyl)-4,5-dihydrooxazol-2-amine

Mol. Formula:
C11H14N2O2

M.W.:
206.25

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.17

Polar Surface Area:
42.85

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2286088

Name:
N-(2-(trifluoromethyl)benzyl)-4,5-dihydrooxazol-2-
Show More⌵

Mol. Formula:
C11H11F3N2O

M.W.:
244.22

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.86

DETAILS

ALA2286087

Name:
N-(2-fluorobenzyl)-4,5-dihydrooxazol-2-amine

Mol. Formula:
C10H11FN2O

M.W.:
194.21

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA2286086

Name:
N-(2-chlorobenzyl)-4,5-dihydrooxazol-2-amine

Mol. Formula:
C10H11ClN2O

M.W.:
210.66

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA2286085

Name:
N-(2-bromobenzyl)-4,5-dihydrooxazol-2-amine

Mol. Formula:
C10H11BrN2O

M.W.:
255.12

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.88

DETAILS

ALA2286084

Name:
(Z)-3,4,5-trimethoxy-N-(oxazolidin-2-ylidene)anili
Show More⌵

Mol. Formula:
C12H16N2O4

M.W.:
252.27

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.32

Polar Surface Area:
61.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2286083

Name:
(Z)-2,4,6-trifluoro-N-(oxazolidin-2-ylidene)anilin
Show More⌵

Mol. Formula:
C9H7F3N2O

M.W.:
216.16

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
33.62

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA2286082

Name:
(Z)-2,4,6-tribromo-N-(oxazolidin-2-ylidene)aniline

Mol. Formula:
C9H7Br3N2O

M.W.:
398.88

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
33.62

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2286081

Name:
(Z)-2,3,4-trichloro-N-(oxazolidin-2-ylidene)anilin
Show More⌵

Mol. Formula:
C9H7Cl3N2O

M.W.:
265.53

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
33.62

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS