(3-(biphenyl-4-yl)-2-(4-fluorophenyl)isoxazolidin-5-yl)methanol

ID: ALA2170254

Chembl Id: CHEMBL2170254

PubChem CID: 11725368

Max Phase: Preclinical

Molecular Formula: C22H20FNO2

Molecular Weight: 349.41

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  OCC1CC(c2ccc(-c3ccccc3)cc2)N(c2ccc(F)cc2)O1

Standard InChI:  InChI=1S/C22H20FNO2/c23-19-10-12-20(13-11-19)24-22(14-21(15-25)26-24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,21-22,25H,14-15H2

Standard InChI Key:  ICVXVJPQVCKMCX-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2170254

   [2-(4-Fluorophenyl)-3-(4-phenylphenyl)-1,2-oxazolidin-5-yl]methanol

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 349.41

Molecular Weight (Monoisotopic): 349.1478

AlogP: 4.74

#Rotatable Bonds: 4

Polar Surface Area: 32.70

Molecular Species: NEUTRAL

HBA: 3

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 4.92

CX LogD: 4.92

Aromatic Rings: 3

Heavy Atoms: 26

QED Weighted: 0.74

Np Likeness Score: -0.52

References

1. Kathiravan MK, Salake AB, Chothe AS, Dudhe PB, Watode RP, Mukta MS, Gadhwe S..  (2012)  The biology and chemistry of antifungal agents: a review.,  20  (19): [PMID:22902032] [10.1016/j.bmc.2012.04.045]

Source

Source(1):

• Scientific Literature