3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole

C17H14N4O — CID 53040271

IUPAC3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCCn1cnc2ccc(-c3noc(-c4ccccc4)n3)cc21
InChIInChI=1S/C17H14N4O/c1-2-21-11-18-14-9-8-13(10-15(14)21)16-19-17(22-20-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyQCFCVDIECDTNTD-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.77
Rot. Bonds3

About 3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole

3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 53040271) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
PubChem CID53040271
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCCn1cnc2ccc(-c3noc(-c4ccccc4)n3)cc21
InChIInChI=1S/C17H14N4O/c1-2-21-11-18-14-9-8-13(10-15(14)21)16-19-17(22-20-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyQCFCVDIECDTNTD-UHFFFAOYSA-N
XLogP3.77
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole 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 3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole (CID 53040271) is 3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole is CCn1cnc2ccc(-c3noc(-c4ccccc4)n3)cc21.
What is the InChIKey of 3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is QCFCVDIECDTNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-21-11-18-14-9-8-13(10-15(14)21)16-19-17(22-20-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3.
What are the key properties of 3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole?
3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 290.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 53040271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).