N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide|N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hy drazinocarbonyl)-5-methyl-4-isoxazolecarboxam...

General Information

Structure

Molecular Formula

C₁₂H₉ClF₃N₅O₃

Molecular Mass

363.6797696

Exact Mass

363.03460151

Charge

InChI

InChI=1S/C12H9ClF3N5O3/c1-4-7(8(21-24-4)11(23)20-17)10(22)19-9-6(13)2-5(3-18-9)12(14,15)16/h2-3H,17H2,1H3,(H,20,23)(H,18,19,22)

InChIKey

PWOINBCDSXSSCD-UHFFFAOYSA-N

Canonic Smiles

NNC(=O)c1noc(c1C(=O)Nc1ncc(cc1Cl)C(F)(F)F)C

Isomeric Smiles

c1(c(noc1C)C(=O)NN)C(=O)Nc1ncc(cc1Cl)C(F)(F)F

Calculated Properties

JChem

Acid pKa

7.249403

H Acceptors

H Donor

LogD (pH = 5.5)

1.4204457

LogD (pH = 7.4)

1.0746647

Log P

1.4279305

Molar Refractivity

80.3088

Polarizability

27.664051

Polar Surface Area

123.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide

Synonyms

N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hy drazinocarbonyl)-5-methyl-4-isoxazolecarboxamideN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinocarbonyl)-5-methyl-4-isoxazolecarboxamideN-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(hydrazinocarbonyl)-5-methylisoxazole-4-carboxamide 97%

IUPAC name

N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide

Names and Identifiers

Registration numbers

MDL Number

MFCD00664740

PubChem CID

2773876

PubChem SID

162045521

Registration numbers