5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

C21H12F4N6O2 — CID 153356190

IUPAC5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESN#Cc1ccc(-c2cc(C(=O)Nc3cnn(Cc4cc(F)ccc4C(F)(F)F)c3)no2)nc1
InChIInChI=1S/C21H12F4N6O2/c22-14-2-3-16(21(23,24)25)13(5-14)10-31-11-15(9-28-31)29-20(32)18-6-19(33-30-18)17-4-1-12(7-26)8-27-17/h1-6,8-9,11H,10H2,(H,29,32)
InChIKeyZSELREZJHOISRC-UHFFFAOYSA-N
MW456.36 g/mol
LogP4.26
Rot. Bonds5

About 5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 153356190) has the molecular formula C21H12F4N6O2 and a molecular weight of 456.36 g/mol. Its IUPAC name is 5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID153356190
Molecular FormulaC21H12F4N6O2
Molecular Weight456.36 g/mol
Exact Mass456.10
IUPAC Name5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESN#Cc1ccc(-c2cc(C(=O)Nc3cnn(Cc4cc(F)ccc4C(F)(F)F)c3)no2)nc1
InChIInChI=1S/C21H12F4N6O2/c22-14-2-3-16(21(23,24)25)13(5-14)10-31-11-15(9-28-31)29-20(32)18-6-19(33-30-18)17-4-1-12(7-26)8-27-17/h1-6,8-9,11H,10H2,(H,29,32)
InChIKeyZSELREZJHOISRC-UHFFFAOYSA-N
XLogP4.26
TPSA109.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3-Fluorobenzyl)-1H-pyrazol-4-YL]-5-phenyl-3-isoxazolecarboxamide
CID 4867418
3-(1-methyl-1H-pyrazol-3-yl)-N-(5-phenylisoxazol-4-yl)-4-(trifluoromethyl)benzamide
CID 118392900
5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220493
N-[1-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 146220624
N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 146220630
5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220662
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide
CID 146220666
(S)-N-(1-(1-(2,4-bis(trifluoromethyl)phenyl)ethyl)-1H-pyrazol-4-yl)-5-(pyridin-2-yl)isoxazole-3-carboxamide
CID 146681787
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 146937157
N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 147377319
(R)-N-(1-(1-(2,4-bis(trifluoromethyl)phenyl)ethyl)-3-methyl-1H-pyrazol-4-yl)-5-(pyridin-2-yl)isoxazole-3-carboxamide
CID 148276446
N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 148276448

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 153356190) is 5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is N#Cc1ccc(-c2cc(C(=O)Nc3cnn(Cc4cc(F)ccc4C(F)(F)F)c3)no2)nc1.
What is the InChIKey of 5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZSELREZJHOISRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F4N6O2/c22-14-2-3-16(21(23,24)25)13(5-14)10-31-11-15(9-28-31)29-20(32)18-6-19(33-30-18)17-4-1-12(7-26)8-27-17/h1-6,8-9,11H,10H2,(H,29,32).
What are the key properties of 5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 456.36 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 153356190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).