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N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide
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ChemBase ID:
40758
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Molecular Formular:
C12H9ClF3N5O3
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Molecular Mass:
363.6797696
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Monoisotopic Mass:
363.03460151
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SMILES and InChIs
SMILES:
c1(c(noc1C)C(=O)NN)C(=O)Nc1ncc(cc1Cl)C(F)(F)F
Canonical SMILES:
NNC(=O)c1noc(c1C(=O)Nc1ncc(cc1Cl)C(F)(F)F)C
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
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Cite this record
CBID:40758 http://www.chembase.cn/molecule-40758.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide
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IUPAC Traditional name
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N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide
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Synonyms
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N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinocarbonyl)-5-methyl-4-isoxazolecarboxamide
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N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hy drazinocarbonyl)-5-methyl-4-isoxazolecarboxamide
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N-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(hydrazinocarbonyl)-5-methylisoxazole-4-carboxamide 97%
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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7.249403
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H Acceptors
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5
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H Donor
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3
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LogD (pH = 5.5)
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1.4204457
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LogD (pH = 7.4)
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1.0746647
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Log P
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1.4279305
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Molar Refractivity
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80.3088 cm3
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Polarizability
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27.664051 Å3
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Polar Surface Area
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123.14 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent