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

C12H9F3N2O2 — CID 3073007

IUPAC5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(F)(F)F)no1
InChIInChI=1S/C12H9F3N2O2/c1-7-6-10(17-19-7)11(18)16-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H,16,18)
InChIKeyOVBQZMCOZUJNCE-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.25
Rot. Bonds2

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

5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 3073007) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID3073007
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(F)(F)F)no1
InChIInChI=1S/C12H9F3N2O2/c1-7-6-10(17-19-7)11(18)16-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H,16,18)
InChIKeyOVBQZMCOZUJNCE-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 5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 3073007) is 5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)no1.
What is the InChIKey of 5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OVBQZMCOZUJNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-7-6-10(17-19-7)11(18)16-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H,16,18).
What are the key properties of 5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-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-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3073007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).