5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

C12H9F3N2O2 — CID 3899

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IUPAC5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKeyVHOGYURTWQBHIL-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.25
Rot. Bonds2

About 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 3899) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID3899
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKeyVHOGYURTWQBHIL-UHFFFAOYSA-N
XLogP3.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(1-naphthyl)-4-isoxazolecarboxamide
CID 850302
N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 3851617
N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2304303
N-(2,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2304314
5-methyl-N-(2-naphthyl)-4-isoxazolecarboxamide
CID 850303
T6893643
CID 850846
3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 3360513
3-ethyl-5-methyl-N-(2,3,4-trifluorophenyl)-1,2-oxazole-4-carboxamide
CID 4459951
N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9210309
3,5-dimethyl-N-(4-methylphenyl)-4-isoxazolecarboxamide
CID 770336
N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189928

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 3899) is 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is VHOGYURTWQBHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18).
What are the key properties of 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).