2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide

C13H11F3N2O2 — CID 110684897

IUPAC2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C13H11F3N2O2/c1-7-11(20-8(2)17-7)12(19)18-10-6-4-3-5-9(10)13(14,15)16/h3-6H,1-2H3,(H,18,19)
InChIKeyWOQBVQVTHNHAFK-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.56
Rot. Bonds2

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

2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 110684897) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
PubChem CID110684897
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C13H11F3N2O2/c1-7-11(20-8(2)17-7)12(19)18-10-6-4-3-5-9(10)13(14,15)16/h3-6H,1-2H3,(H,18,19)
InChIKeyWOQBVQVTHNHAFK-UHFFFAOYSA-N
XLogP3.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4140143
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35346075
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
CID 99644527
4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 110860744
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 8966624
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9458380
5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30134336
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-(2-methyl-1,3-benzoxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110773886

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide (CID 110684897) is 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccccc2C(F)(F)F)o1.
What is the InChIKey of 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is WOQBVQVTHNHAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-7-11(20-8(2)17-7)12(19)18-10-6-4-3-5-9(10)13(14,15)16/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).