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

C12H9F3N2O3 — CID 7452856

IUPAC3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)on1
InChIInChI=1S/C12H9F3N2O3/c1-7-6-10(20-17-7)11(18)16-8-2-4-9(5-3-8)19-12(13,14)15/h2-6H,1H3,(H,16,18)
InChIKeyGPFYQGXIZIEZTE-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.13
Rot. Bonds3

About 3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 7452856) has the molecular formula C12H9F3N2O3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID7452856
Molecular FormulaC12H9F3N2O3
Molecular Weight286.21 g/mol
Exact Mass286.06
IUPAC Name3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)on1
InChIInChI=1S/C12H9F3N2O3/c1-7-6-10(20-17-7)11(18)16-8-2-4-9(5-3-8)19-12(13,14)15/h2-6H,1H3,(H,16,18)
InChIKeyGPFYQGXIZIEZTE-UHFFFAOYSA-N
XLogP3.13
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 7726776
4-chloro-N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 16194126
3-Isoxazolecarboxamide, N-(2-methoxyphenyl)-5-methyl-
CID 3021345
3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 17438333
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 2769301
N-(5-chloro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 8065343
N-(2,4-difluorophenyl)-3-methylisoxazole-5-carboxamide
CID 8065344
N-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 8152026
N-(3,4-dimethoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 17095589
3-methyl-N-(3,4,5-trimethoxyphenyl)isoxazole-5-carboxamide
CID 17095591
3-Isoxazolecarboxamide, N-(4-methoxyphenyl)-5-methyl-
CID 5113641

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide (CID 7452856) is 3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)on1.
What is the InChIKey of 3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is GPFYQGXIZIEZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3/c1-7-6-10(20-17-7)11(18)16-8-2-4-9(5-3-8)19-12(13,14)15/h2-6H,1H3,(H,16,18).
What are the key properties of 3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 286.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 7452856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).