3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide

C20H18ClN5O2 — CID 46969280

IUPAC3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide
SMILESCCn1cnc2cc(NC(=O)CCc3nc(-c4ccccc4Cl)no3)ccc21
InChIInChI=1S/C20H18ClN5O2/c1-2-26-12-22-16-11-13(7-8-17(16)26)23-18(27)9-10-19-24-20(25-28-19)14-5-3-4-6-15(14)21/h3-8,11-12H,2,9-10H2,1H3,(H,23,27)
InChIKeyUSPMNAWILXCERC-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.33
Rot. Bonds6

About 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide (PubChem CID 46969280) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide
PubChem CID46969280
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide
SMILESCCn1cnc2cc(NC(=O)CCc3nc(-c4ccccc4Cl)no3)ccc21
InChIInChI=1S/C20H18ClN5O2/c1-2-26-12-22-16-11-13(7-8-17(16)26)23-18(27)9-10-19-24-20(25-28-19)14-5-3-4-6-15(14)21/h3-8,11-12H,2,9-10H2,1H3,(H,23,27)
InChIKeyUSPMNAWILXCERC-UHFFFAOYSA-N
XLogP4.33
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide 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-(3-chloro-4-fluorophenyl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100757710
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 17101530
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046
N-(3-chloro-4-methylphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330752
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 133209724
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17344112
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 17354813
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-difluorophenyl)propanamide
CID 100757698
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 135970455
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-3-ylpropanamide
CID 44578053
N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330758

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide?
The IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide (CID 46969280) is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide is CCn1cnc2cc(NC(=O)CCc3nc(-c4ccccc4Cl)no3)ccc21.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide?
The InChIKey is USPMNAWILXCERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-2-26-12-22-16-11-13(7-8-17(16)26)23-18(27)9-10-19-24-20(25-28-19)14-5-3-4-6-15(14)21/h3-8,11-12H,2,9-10H2,1H3,(H,23,27).
What are the key properties of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide?
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide has a molecular weight of 395.85 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide is sourced from PubChem (CID 46969280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).