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

C12H9F3N2O2 — CID 7452855

IUPAC3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C12H9F3N2O2/c1-7-5-10(19-17-7)11(18)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,18)
InChIKeyNJNDEXUZBOHMNQ-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.25
Rot. Bonds2

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

3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 7452855) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID7452855
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C12H9F3N2O2/c1-7-5-10(19-17-7)11(18)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,18)
InChIKeyNJNDEXUZBOHMNQ-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 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide (CID 7452855) is 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)on1.
What is the InChIKey of 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NJNDEXUZBOHMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-7-5-10(19-17-7)11(18)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,18).
What are the key properties of 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-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 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 7452855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).