N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C21H14ClF3N4O3 — CID 67379137

IUPACN-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCc1coc(-c2ccc(Cl)cc2)n1)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C21H14ClF3N4O3/c22-15-6-4-12(5-7-15)19-27-16(11-31-19)8-9-26-18(30)14-3-1-2-13(10-14)17-28-20(32-29-17)21(23,24)25/h1-7,10-11H,8-9H2,(H,26,30)
InChIKeyUWMYYRXPSZFFNP-UHFFFAOYSA-N
MW462.82 g/mol
LogP5.04
Rot. Bonds6

About N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 67379137) has the molecular formula C21H14ClF3N4O3 and a molecular weight of 462.82 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID67379137
Molecular FormulaC21H14ClF3N4O3
Molecular Weight462.82 g/mol
Exact Mass462.07
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCc1coc(-c2ccc(Cl)cc2)n1)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C21H14ClF3N4O3/c22-15-6-4-12(5-7-15)19-27-16(11-31-19)8-9-26-18(30)14-3-1-2-13(10-14)17-28-20(32-29-17)21(23,24)25/h1-7,10-11H,8-9H2,(H,26,30)
InChIKeyUWMYYRXPSZFFNP-UHFFFAOYSA-N
XLogP5.04
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.82
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide 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 N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 67379137) is N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NCCc1coc(-c2ccc(Cl)cc2)n1)c1cccc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is UWMYYRXPSZFFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O3/c22-15-6-4-12(5-7-15)19-27-16(11-31-19)8-9-26-18(30)14-3-1-2-13(10-14)17-28-20(32-29-17)21(23,24)25/h1-7,10-11H,8-9H2,(H,26,30).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 462.82 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 67379137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).