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

C14H19ClN4O2 — CID 119497807

IUPACN-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
SMILESCc1noc(-c2ccccc2C(=O)NCCC(C)N)n1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-9(15)7-8-16-13(19)11-5-3-4-6-12(11)14-17-10(2)18-20-14;/h3-6,9H,7-8,15H2,1-2H3,(H,16,19);1H
InChIKeyDRPIZJBTXSQLJJ-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.93
Rot. Bonds5

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

N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride (PubChem CID 119497807) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
PubChem CID119497807
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
SMILESCc1noc(-c2ccccc2C(=O)NCCC(C)N)n1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-9(15)7-8-16-13(19)11-5-3-4-6-12(11)14-17-10(2)18-20-14;/h3-6,9H,7-8,15H2,1-2H3,(H,16,19);1H
InChIKeyDRPIZJBTXSQLJJ-UHFFFAOYSA-N
XLogP1.93
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
CID 119499680
N-[2-(methylamino)propyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 120827644
N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 119507620
4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid
CID 119253201
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 167847486
(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid
CID 119364440
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 120947540
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 126774730
N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119590942
N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3348278
4-amino-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 80543433
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride (CID 119497807) is N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride is Cc1noc(-c2ccccc2C(=O)NCCC(C)N)n1.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
The InChIKey is DRPIZJBTXSQLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-9(15)7-8-16-13(19)11-5-3-4-6-12(11)14-17-10(2)18-20-14;/h3-6,9H,7-8,15H2,1-2H3,(H,16,19);1H.
What are the key properties of N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride is sourced from PubChem (CID 119497807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).