N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride

C18H25ClN4O2 — CID 119590942

IUPACN-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
SMILESCc1noc(-c2ccccc2C(=O)NC(CN)C2CCCCC2)n1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-12-20-18(24-22-12)15-10-6-5-9-14(15)17(23)21-16(11-19)13-7-3-2-4-8-13;/h5-6,9-10,13,16H,2-4,7-8,11,19H2,1H3,(H,21,23);1H
InChIKeyQIXUOPRGTVNFQM-UHFFFAOYSA-N
MW364.88 g/mol
LogP3.10
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride (PubChem CID 119590942) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
PubChem CID119590942
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
SMILESCc1noc(-c2ccccc2C(=O)NC(CN)C2CCCCC2)n1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-12-20-18(24-22-12)15-10-6-5-9-14(15)17(23)21-16(11-19)13-7-3-2-4-8-13;/h5-6,9-10,13,16H,2-4,7-8,11,19H2,1H3,(H,21,23);1H
InChIKeyQIXUOPRGTVNFQM-UHFFFAOYSA-N
XLogP3.10
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119603440
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2-methylpyridine-3-carboxamide
CID 81485625
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119590659
(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid
CID 119364440
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119497807
N-(2-amino-1-cyclohexylethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 119591141
N-(2-amino-1-cyclohexylethyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119590638
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119590660
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119592070

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride (CID 119590942) is N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride is Cc1noc(-c2ccccc2C(=O)NC(CN)C2CCCCC2)n1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
The InChIKey is QIXUOPRGTVNFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-12-20-18(24-22-12)15-10-6-5-9-14(15)17(23)21-16(11-19)13-7-3-2-4-8-13;/h5-6,9-10,13,16H,2-4,7-8,11,19H2,1H3,(H,21,23);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride is sourced from PubChem (CID 119590942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).