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

C15H13F3N2O2 — CID 22361318

IUPAC5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cnoc1C1CC1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)11-5-1-9(2-6-11)7-19-14(21)12-8-20-22-13(12)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H,19,21)
InChIKeyOUFCPSQOQSKHSO-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.50
Rot. Bonds4

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

5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 22361318) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID22361318
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cnoc1C1CC1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)11-5-1-9(2-6-11)7-19-14(21)12-8-20-22-13(12)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H,19,21)
InChIKeyOUFCPSQOQSKHSO-UHFFFAOYSA-N
XLogP3.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide (CID 22361318) is 5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1cnoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is OUFCPSQOQSKHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-15(17,18)11-5-1-9(2-6-11)7-19-14(21)12-8-20-22-13(12)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H,19,21).
What are the key properties of 5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 22361318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).