4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C16H12ClN3O2 — CID 691499

IUPAC4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C16H12ClN3O2/c1-10-3-2-4-12(9-10)15-19-20-16(22-15)18-14(21)11-5-7-13(17)8-6-11/h2-9H,1H3,(H,18,20,21)
InChIKeyIWFWBYKOSXITDL-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.95
Rot. Bonds3

About 4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 691499) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID691499
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C16H12ClN3O2/c1-10-3-2-4-12(9-10)15-19-20-16(22-15)18-14(21)11-5-7-13(17)8-6-11/h2-9H,1H3,(H,18,20,21)
InChIKeyIWFWBYKOSXITDL-UHFFFAOYSA-N
XLogP3.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-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 4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 691499) is 4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is IWFWBYKOSXITDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-10-3-2-4-12(9-10)15-19-20-16(22-15)18-14(21)11-5-7-13(17)8-6-11/h2-9H,1H3,(H,18,20,21).
What are the key properties of 4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 313.74 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 691499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).