3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide

C17H14ClF3N4O2 — CID 71808050

IUPAC3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C17H14ClF3N4O2/c1-10-14(15(24-27-10)11-4-2-3-5-12(11)18)16(26)22-7-9-25-8-6-13(23-25)17(19,20)21/h2-6,8H,7,9H2,1H3,(H,22,26)
InChIKeyXFIVHUSZIZQHSD-UHFFFAOYSA-N
MW398.77 g/mol
LogP3.95
Rot. Bonds5

About 3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 71808050) has the molecular formula C17H14ClF3N4O2 and a molecular weight of 398.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide
PubChem CID71808050
Molecular FormulaC17H14ClF3N4O2
Molecular Weight398.77 g/mol
Exact Mass398.08
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C17H14ClF3N4O2/c1-10-14(15(24-27-10)11-4-2-3-5-12(11)18)16(26)22-7-9-25-8-6-13(23-25)17(19,20)21/h2-6,8H,7,9H2,1H3,(H,22,26)
InChIKeyXFIVHUSZIZQHSD-UHFFFAOYSA-N
XLogP3.95
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid N'-(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)-hydrazide
CID 540178
5-methyl-3-phenyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
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3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-isoxazolecarboxamide
CID 1225522
N-(1-benzylpyrazol-4-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4451622
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
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N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
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Cambridge id 6131393
CID 702091
3-(2-chlorophenyl)-5-methyl-N-(2-pyridinylmethyl)-4-isoxazolecarboxamide
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3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4-isoxazolecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide (CID 71808050) is 3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is XFIVHUSZIZQHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O2/c1-10-14(15(24-27-10)11-4-2-3-5-12(11)18)16(26)22-7-9-25-8-6-13(23-25)17(19,20)21/h2-6,8H,7,9H2,1H3,(H,22,26).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 398.77 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71808050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).