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

C16H21ClN4O2 — CID 119603440

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
SMILESCc1noc(-c2ccccc2C(=O)NC2CCCC2CN)n1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-10-18-16(22-20-10)13-7-3-2-6-12(13)15(21)19-14-8-4-5-11(14)9-17;/h2-3,6-7,11,14H,4-5,8-9,17H2,1H3,(H,19,21);1H
InChIKeyMNNYTONZZSWZLC-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.32
Rot. Bonds4

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

N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride (PubChem CID 119603440) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
PubChem CID119603440
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
SMILESCc1noc(-c2ccccc2C(=O)NC2CCCC2CN)n1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-10-18-16(22-20-10)13-7-3-2-6-12(13)15(21)19-14-8-4-5-11(14)9-17;/h2-3,6-7,11,14H,4-5,8-9,17H2,1H3,(H,19,21);1H
InChIKeyMNNYTONZZSWZLC-UHFFFAOYSA-N
XLogP2.32
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119605262
N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 119601520
N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119602591
N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119590942
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118308053
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 122438757
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
CID 119601875
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 120947540
N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119497807
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119610704

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride (CID 119603440) is N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride is Cc1noc(-c2ccccc2C(=O)NC2CCCC2CN)n1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
The InChIKey is MNNYTONZZSWZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.ClH/c1-10-18-16(22-20-10)13-7-3-2-6-12(13)15(21)19-14-8-4-5-11(14)9-17;/h2-3,6-7,11,14H,4-5,8-9,17H2,1H3,(H,19,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 2.32, 4 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-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride is sourced from PubChem (CID 119603440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).