N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride

C13H17ClN4O2 — CID 119629349

IUPACN-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(-c2ncon2)cc1.Cl
InChIInChI=1S/C13H16N4O2.ClH/c1-13(2,14)7-15-12(18)10-5-3-9(4-6-10)11-16-8-19-17-11;/h3-6,8H,7,14H2,1-2H3,(H,15,18);1H
InChIKeyDPYIEVBJBBUKIU-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.63
Rot. Bonds4

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

N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride (PubChem CID 119629349) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
PubChem CID119629349
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC NameN-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(-c2ncon2)cc1.Cl
InChIInChI=1S/C13H16N4O2.ClH/c1-13(2,14)7-15-12(18)10-5-3-9(4-6-10)11-16-8-19-17-11;/h3-6,8H,7,14H2,1-2H3,(H,15,18);1H
InChIKeyDPYIEVBJBBUKIU-UHFFFAOYSA-N
XLogP1.63
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
CID 120533257
N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119407873
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111478813
N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119508201
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111426410
N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 154835530
1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119629402

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride (CID 119629349) is N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride is CC(C)(N)CNC(=O)c1ccc(-c2ncon2)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride?
The InChIKey is DPYIEVBJBBUKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2.ClH/c1-13(2,14)7-15-12(18)10-5-3-9(4-6-10)11-16-8-19-17-11;/h3-6,8H,7,14H2,1-2H3,(H,15,18);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride has a molecular weight of 296.76 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 119629349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).