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

C13H11F3N2O2 — CID 53195170

IUPAC2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c(C)o1
InChIInChI=1S/C13H11F3N2O2/c1-7-11(17-8(2)20-7)12(19)18-10-5-3-4-9(6-10)13(14,15)16/h3-6H,1-2H3,(H,18,19)
InChIKeyKBCFWYJDZFEOKQ-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.56
Rot. Bonds2

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

2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53195170) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53195170
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c(C)o1
InChIInChI=1S/C13H11F3N2O2/c1-7-11(17-8(2)20-7)12(19)18-10-5-3-4-9(6-10)13(14,15)16/h3-6H,1-2H3,(H,18,19)
InChIKeyKBCFWYJDZFEOKQ-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 53195170) is 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KBCFWYJDZFEOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-7-11(17-8(2)20-7)12(19)18-10-5-3-4-9(6-10)13(14,15)16/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-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 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).