N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide

C14H19N3O2 — CID 115272460

IUPACN-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide
SMILESCC(CN)CN(C)C(=O)Cc1ccc2ncoc2c1
InChIInChI=1S/C14H19N3O2/c1-10(7-15)8-17(2)14(18)6-11-3-4-12-13(5-11)19-9-16-12/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyUKOHEWIQDKAPJH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.42
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide

N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide (PubChem CID 115272460) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide
PubChem CID115272460
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide
SMILESCC(CN)CN(C)C(=O)Cc1ccc2ncoc2c1
InChIInChI=1S/C14H19N3O2/c1-10(7-15)8-17(2)14(18)6-11-3-4-12-13(5-11)19-9-16-12/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyUKOHEWIQDKAPJH-UHFFFAOYSA-N
XLogP1.42
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide 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

BI 99179
CID 51346964
N-(3-Benzooxazol-7-yl-propyl)-acetamide
CID 22718532
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-acetamide
CID 22718561
N-(3-Benzooxazol-7-yl-propyl)-propionamide
CID 22718564
5-Oxa-7,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),6,9-tetraene
CID 9859046
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-butyramide
CID 9970584
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-propionamide
CID 10015475
N-[3-(2-Methyl-benzooxazol-7-yl)-propyl]-propionamide
CID 10332159
N-{3-[2-(4-Phenyl-butyl)-benzooxazol-7-yl]-propyl}-propionamide
CID 10361427
Cyclopropanecarboxylic acid [3-(2-methyl-benzooxazol-7-yl)-propyl]-amide
CID 10400294
N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]propanamide
CID 10423378
N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]butanamide
CID 10446712

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide (CID 115272460) is N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide is CC(CN)CN(C)C(=O)Cc1ccc2ncoc2c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide?
The InChIKey is UKOHEWIQDKAPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(7-15)8-17(2)14(18)6-11-3-4-12-13(5-11)19-9-16-12/h3-5,9-10H,6-8,15H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide?
N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide has a molecular weight of 261.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide is sourced from PubChem (CID 115272460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).