N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide

C17H24N4O2 — CID 119499680

IUPACN-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC(N)CCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H24N4O2/c1-11(18)9-10-19-14(22)12-7-5-6-8-13(12)15-20-16(21-23-15)17(2,3)4/h5-8,11H,9-10,18H2,1-4H3,(H,19,22)
InChIKeyZMGAXYOUXQECCS-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.50
Rot. Bonds5

About N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide

N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 119499680) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID119499680
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC(N)CCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H24N4O2/c1-11(18)9-10-19-14(22)12-7-5-6-8-13(12)15-20-16(21-23-15)17(2,3)4/h5-8,11H,9-10,18H2,1-4H3,(H,19,22)
InChIKeyZMGAXYOUXQECCS-UHFFFAOYSA-N
XLogP2.50
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119497807
(2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid
CID 119244546
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 29078211
(2S)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]hexanoic acid
CID 120614642
4-[[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120541919
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide
CID 52879974
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56517876
2-[4-[[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698292
N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119605262
N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
CID 56800922
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide
CID 99808617
N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 119507620

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide (CID 119499680) is N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide is CC(N)CCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1.
What is the InChIKey of N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is ZMGAXYOUXQECCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(18)9-10-19-14(22)12-7-5-6-8-13(12)15-20-16(21-23-15)17(2,3)4/h5-8,11H,9-10,18H2,1-4H3,(H,19,22).
What are the key properties of N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 316.40 g/mol, XLogP of 2.50, 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-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 119499680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).