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

C20H17F3N2O2 — CID 31619587

IUPACN,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O2/c1-13-17(18(24-27-13)15-6-4-3-5-7-15)19(26)25(2)12-14-8-10-16(11-9-14)20(21,22)23/h3-11H,12H2,1-2H3
InChIKeyGGXZOPIAGTVLIL-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.94
Rot. Bonds4

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

N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 31619587) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID31619587
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC NameN,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O2/c1-13-17(18(24-27-13)15-6-4-3-5-7-15)19(26)25(2)12-14-8-10-16(11-9-14)20(21,22)23/h3-11H,12H2,1-2H3
InChIKeyGGXZOPIAGTVLIL-UHFFFAOYSA-N
XLogP4.94
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78801211
N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 39858071
N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78795967
5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide
CID 807635
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 9437481
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 8964782
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
N,N-bis(2-cyanoethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2210713
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 17256808

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide (CID 31619587) is N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is GGXZOPIAGTVLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-13-17(18(24-27-13)15-6-4-3-5-7-15)19(26)25(2)12-14-8-10-16(11-9-14)20(21,22)23/h3-11H,12H2,1-2H3.
What are the key properties of N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 31619587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).