N-(3,4-Dimethyl-1,2-oxazol-5-yl)-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxamide

CovInDB Inhibitor

CI000748

Name

N-(3,4-Dimethyl-1,2-oxazol-5-yl)-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxamide

Molecular Formula

C₂₄H₂₃F₃N₄O₃

Molecular Weight

472.5 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

N-(3,4-dimethylisoxazol-5-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]piperidine-1-carboxamide

InChI

InChI=1S/C24H23F3N4O3/c1-15-16(2)30-34-22(15)29-23(32)31-10-8-17(9-11-31)12-18-4-3-5-20(13-18)33-21-7-6-19(14-28-21)24(25,26)27/h3-7,12-14H,8-11H2,1-2H3,(H,29,32)

InChI Key

IYNUFLVJHWFVCV-UHFFFAOYSA-N

Canonical SMILES

Cc1noc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)c1C

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

472.5 g/mol

Computed by RDKit

logP

4.73

Computed by ALOGPS

logS

-4.04

Computed by ALOGPS

Heavy Atom Count

34

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

5

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

4

Computed by RDKit

Topological Polar Surface Area

80.49 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.