N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide

C21H21ClN4O2 — CID 119601520

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESNCC1CCCC1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C21H21ClN4O2/c22-15-7-3-5-13(11-15)19-25-21(28-26-19)17-9-2-1-8-16(17)20(27)24-18-10-4-6-14(18)12-23/h1-3,5,7-9,11,14,18H,4,6,10,12,23H2,(H,24,27)
InChIKeyTVTFFGCVPYFTEX-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide

N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 119601520) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID119601520
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESNCC1CCCC1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C21H21ClN4O2/c22-15-7-3-5-13(11-15)19-25-21(28-26-19)17-9-2-1-8-16(17)20(27)24-18-10-4-6-14(18)12-23/h1-3,5,7-9,11,14,18H,4,6,10,12,23H2,(H,24,27)
InChIKeyTVTFFGCVPYFTEX-UHFFFAOYSA-N
XLogP3.91
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-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

Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119603440
N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide
CID 103807257
N-[2-(aminomethyl)cyclopentyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119602696
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135105880
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43329885
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62955505
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119610704
N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119604930
N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 119601120

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 119601520) is N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide is NCC1CCCC1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is TVTFFGCVPYFTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-15-7-3-5-13(11-15)19-25-21(28-26-19)17-9-2-1-8-16(17)20(27)24-18-10-4-6-14(18)12-23/h1-3,5,7-9,11,14,18H,4,6,10,12,23H2,(H,24,27).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 396.88 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 119601520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).