5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C21H17F3N2O2 — CID 86967765

IUPAC5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(c1nc(-c2ccccc2)oc1C1CC1)N(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)13-26(16-9-5-2-6-10-16)20(27)17-18(14-11-12-14)28-19(25-17)15-7-3-1-4-8-15/h1-10,14H,11-13H2
InChIKeyWYHOPKRPNCAWGW-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.43
Rot. Bonds5

About 5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 86967765) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
PubChem CID86967765
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(c1nc(-c2ccccc2)oc1C1CC1)N(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)13-26(16-9-5-2-6-10-16)20(27)17-18(14-11-12-14)28-19(25-17)15-7-3-1-4-8-15/h1-10,14H,11-13H2
InChIKeyWYHOPKRPNCAWGW-UHFFFAOYSA-N
XLogP5.43
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 86967765) is 5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is O=C(c1nc(-c2ccccc2)oc1C1CC1)N(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WYHOPKRPNCAWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c22-21(23,24)13-26(16-9-5-2-6-10-16)20(27)17-18(14-11-12-14)28-19(25-17)15-7-3-1-4-8-15/h1-10,14H,11-13H2.
What are the key properties of 5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 386.37 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86967765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).