3-Bromo-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

CovInDB Inhibitor

CI001624

Name

3-Bromo-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Molecular Formula

C₁₁H₁₁BrN₂O₃

Molecular Weight

299.12 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

3-bromo-N-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide

InChI

InChI=1S/C11H11BrN2O3/c1-16-8-4-2-7(3-5-8)13-11(15)9-6-10(12)14-17-9/h2-5,9H,6H2,1H3,(H,13,15)

InChI Key

NDKFJFWRRBHLJU-UHFFFAOYSA-N

Canonical SMILES

COc1ccc(NC(=O)C2CC(Br)=NO2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

299.12 g/mol

Computed by RDKit

logP

1.71

Computed by ALOGPS

logS

-3.36

Computed by ALOGPS

Heavy Atom Count

17

Computed by RDKit

Ring Count

2

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

3

Computed by RDKit

Topological Polar Surface Area

59.92 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.