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

C15H19ClN4O2 — CID 119604010

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C15H18N4O2.ClH/c16-8-12-2-1-3-13(12)18-15(20)11-6-4-10(5-7-11)14-17-9-21-19-14;/h4-7,9,12-13H,1-3,8,16H2,(H,18,20);1H
InChIKeyPCHFBKPQJOZCKC-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.02
Rot. Bonds4

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

N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride (PubChem CID 119604010) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
PubChem CID119604010
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C15H18N4O2.ClH/c16-8-12-2-1-3-13(12)18-15(20)11-6-4-10(5-7-11)14-17-9-21-19-14;/h4-7,9,12-13H,1-3,8,16H2,(H,18,20);1H
InChIKeyPCHFBKPQJOZCKC-UHFFFAOYSA-N
XLogP2.02
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride
CID 119600768
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119602452
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride
CID 119600664
N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119604415
N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609735
N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 119602891
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119603961

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride (CID 119604010) is N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1ccc(-c2ncon2)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride?
The InChIKey is PCHFBKPQJOZCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.ClH/c16-8-12-2-1-3-13(12)18-15(20)11-6-4-10(5-7-11)14-17-9-21-19-14;/h4-7,9,12-13H,1-3,8,16H2,(H,18,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 2.02, 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]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 119604010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).