N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

C13H17N3O2 — CID 108790505

IUPACN-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)NCCCN)c2c1
InChIInChI=1S/C13H17N3O2/c1-9-3-4-12-10(7-9)11(16-18-12)8-13(17)15-6-2-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,17)
InChIKeyHOWBAJSOQQPFEP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.14
Rot. Bonds5

About N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108790505) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108790505
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)NCCCN)c2c1
InChIInChI=1S/C13H17N3O2/c1-9-3-4-12-10(7-9)11(16-18-12)8-13(17)15-6-2-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,17)
InChIKeyHOWBAJSOQQPFEP-UHFFFAOYSA-N
XLogP1.14
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide 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-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790464
N-[(4-chlorophenyl)methyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519867
N-(3-fluoro-4-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519775
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 108790401
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 108803195
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 108803187
3-[[4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 108803287
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647250

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (CID 108790505) is N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is Cc1ccc2onc(CC(=O)NCCCN)c2c1.
What is the InChIKey of N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is HOWBAJSOQQPFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-3-4-12-10(7-9)11(16-18-12)8-13(17)15-6-2-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,17).
What are the key properties of N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108790505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).