(R)-5-hexyl-3-phenyloxazolidin-2-one

Names and Identifiers

Canonical SMILES: CCCCCC[C@@H]1CN(c2ccccc2)C(=O)O1

Standard InChI: InChI=1S/C15H21NO2/c1-2-3-4-8-11-14-12-16(15(17)18-14)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3/t14-/m1/s1

Standard InChI Key: VSVXANNIGPUQAD-CQSZACIVSA-N

Molfile:

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M  END

Alternative Forms

Parent:

ALA1094762
(R)-5-hexyl-3-phenyloxazolidin-2-one

Associated Targets(Human)

GRM2 Tchem Metabotropic glutamate receptor 2 (3206 Activities)

Discover Target: GRM2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Canis familiaris (36305 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Drug Indications

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Calculated Properties

Molecular Weight: 247.34	Molecular Weight (Monoisotopic): 247.1572	AlogP: 3.98	#Rotatable Bonds: 6
Polar Surface Area: 29.54	Molecular Species: NEUTRAL	HBA: 2	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): 3	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: 4.24	CX LogD: 4.24
Aromatic Rings: 1	Heavy Atoms: 18	QED Weighted: 0.71	Np Likeness Score: -0.37

References

1. Brnardic EJ, Fraley ME, Garbaccio RM, Layton ME, Sanders JM, Culberson C, Jacobson MA, Magliaro BC, Hutson PH, O'Brien JA, Huszar SL, Uslaner JM, Fillgrove KL, Tang C, Kuo Y, Sur SM, Hartman GD.. (2010) 3-Aryl-5-phenoxymethyl-1,3-oxazolidin-2-ones as positive allosteric modulators of mGluR2 for the treatment of schizophrenia: Hit-to-lead efforts., 20 (10): [PMID:20409708] [10.1016/j.bmcl.2010.03.089]

Source

Source(1):

Scientific Literature