N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide

C14H19N3O2 — CID 108795126

IUPACN-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide
SMILESNCCCCCCNC(=O)c1ccc2ocnc2c1
InChIInChI=1S/C14H19N3O2/c15-7-3-1-2-4-8-16-14(18)11-5-6-13-12(9-11)17-10-19-13/h5-6,9-10H,1-4,7-8,15H2,(H,16,18)
InChIKeyIKWRIHKTZVOXSW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.08
Rot. Bonds7

About N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide

N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 108795126) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide
PubChem CID108795126
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide
SMILESNCCCCCCNC(=O)c1ccc2ocnc2c1
InChIInChI=1S/C14H19N3O2/c15-7-3-1-2-4-8-16-14(18)11-5-6-13-12(9-11)17-10-19-13/h5-6,9-10H,1-4,7-8,15H2,(H,16,18)
InChIKeyIKWRIHKTZVOXSW-UHFFFAOYSA-N
XLogP2.08
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide 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-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide
CID 108795171
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 107843665
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
N-(6-aminohexyl)-3-[(6-aminopyrimidin-4-yl)amino]benzamide
CID 87330668
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
CID 110707351
N-(8-aminooctyl)-3-bromobenzamide
CID 54790956
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211
N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388187
N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119407873

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide (CID 108795126) is N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide is NCCCCCCNC(=O)c1ccc2ocnc2c1.
What is the InChIKey of N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is IKWRIHKTZVOXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-7-3-1-2-4-8-16-14(18)11-5-6-13-12(9-11)17-10-19-13/h5-6,9-10H,1-4,7-8,15H2,(H,16,18).
What are the key properties of N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide?
N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 108795126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).