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

C13H11F3N2O2 — CID 110860744

IUPAC4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C13H11F3N2O2/c1-7-8(2)20-18-11(7)12(19)17-10-6-4-3-5-9(10)13(14,15)16/h3-6H,1-2H3,(H,17,19)
InChIKeyYPDYZNSNVRLGGV-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.56
Rot. Bonds2

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

4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 110860744) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID110860744
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C13H11F3N2O2/c1-7-8(2)20-18-11(7)12(19)17-10-6-4-3-5-9(10)13(14,15)16/h3-6H,1-2H3,(H,17,19)
InChIKeyYPDYZNSNVRLGGV-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

4-[(2,3-dimethylphenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19490391
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864656
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19442790
4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443900
4-nitro-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 20864769
5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254461
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 110684897
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093173

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 110860744) is 4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccccc2C(F)(F)F)c1C.
What is the InChIKey of 4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YPDYZNSNVRLGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-7-8(2)20-18-11(7)12(19)17-10-6-4-3-5-9(10)13(14,15)16/h3-6H,1-2H3,(H,17,19).
What are the key properties of 4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-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 4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110860744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).