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

C21H15F3N4O3 — CID 67344658

IUPACN-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCc1coc(-c2ccccc2)n1)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C21H15F3N4O3/c22-21(23,24)20-27-17(28-31-20)14-7-4-8-15(11-14)18(29)25-10-9-16-12-30-19(26-16)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,25,29)
InChIKeyNPLQTSFOMXZOMD-UHFFFAOYSA-N
MW428.37 g/mol
LogP4.38
Rot. Bonds6

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

N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 67344658) has the molecular formula C21H15F3N4O3 and a molecular weight of 428.37 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID67344658
Molecular FormulaC21H15F3N4O3
Molecular Weight428.37 g/mol
Exact Mass428.11
IUPAC NameN-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCc1coc(-c2ccccc2)n1)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C21H15F3N4O3/c22-21(23,24)20-27-17(28-31-20)14-7-4-8-15(11-14)18(29)25-10-9-16-12-30-19(26-16)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,25,29)
InChIKeyNPLQTSFOMXZOMD-UHFFFAOYSA-N
XLogP4.38
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-phenyl-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-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 67344658) is N-[2-(2-phenyl-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-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NCCc1coc(-c2ccccc2)n1)c1cccc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is NPLQTSFOMXZOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3/c22-21(23,24)20-27-17(28-31-20)14-7-4-8-15(11-14)18(29)25-10-9-16-12-30-19(26-16)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,25,29).
What are the key properties of N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 428.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 67344658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).