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

C12H9F3N2O2 — CID 4140137

IUPAC4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H9F3N2O2/c1-7-10(19-6-16-7)11(18)17-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKeyQWEGNSFLPUNIRD-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.25
Rot. Bonds2

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

4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 4140137) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
PubChem CID4140137
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H9F3N2O2/c1-7-10(19-6-16-7)11(18)17-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKeyQWEGNSFLPUNIRD-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide (CID 4140137) is 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is QWEGNSFLPUNIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-7-10(19-6-16-7)11(18)17-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H,17,18).
What are the key properties of 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-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 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 4140137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).