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

C14H13F3N2O2 — CID 53195147

IUPAC2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(C)o1
InChIInChI=1S/C14H13F3N2O2/c1-8-12(19-9(2)21-8)13(20)18-7-10-3-5-11(6-4-10)14(15,16)17/h3-6H,7H2,1-2H3,(H,18,20)
InChIKeyFAAJYOJGJFOPBU-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.24
Rot. Bonds3

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

2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 53195147) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID53195147
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(C)o1
InChIInChI=1S/C14H13F3N2O2/c1-8-12(19-9(2)21-8)13(20)18-7-10-3-5-11(6-4-10)14(15,16)17/h3-6H,7H2,1-2H3,(H,18,20)
InChIKeyFAAJYOJGJFOPBU-UHFFFAOYSA-N
XLogP3.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.24
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-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 53195147) is 2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is FAAJYOJGJFOPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-8-12(19-9(2)21-8)13(20)18-7-10-3-5-11(6-4-10)14(15,16)17/h3-6H,7H2,1-2H3,(H,18,20).
What are the key properties of 2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 298.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).