N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide

C13H17N3O2 — CID 119585056

IUPACN-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
SMILESCC(CN)N(C)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C13H17N3O2/c1-9(8-14)16(2)13(17)7-11-10-5-3-4-6-12(10)18-15-11/h3-6,9H,7-8,14H2,1-2H3
InChIKeyPYPNMVMDQVJEHC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.18
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide

N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide (PubChem CID 119585056) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
PubChem CID119585056
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
SMILESCC(CN)N(C)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C13H17N3O2/c1-9(8-14)16(2)13(17)7-11-10-5-3-4-6-12(10)18-15-11/h3-6,9H,7-8,14H2,1-2H3
InChIKeyPYPNMVMDQVJEHC-UHFFFAOYSA-N
XLogP1.18
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-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

2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 1482045
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propylbenzamide
CID 152797966
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide
CID 162672738
1,2-Benzisoxazole-3-acetamide
CID 323639
2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 1235346
2-(1,2-benzisoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 1235351
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethylphenyl)acetamide
CID 16017651
2-(5-Methyl-1,2-benzoxazol-3-YL)-1-(4-phenylpiperazin-1-YL)ethan-1-one
CID 16017677
N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)-N-phenylacetamide
CID 16017712
2-(5-phenyl-1,2-oxazol-3-yl)-N-propylacetamide
CID 16878272
2-(5-phenyl-1,2-oxazol-3-yl)-N-propan-2-ylacetamide
CID 16878274
N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 54577605

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide (CID 119585056) is N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide is CC(CN)N(C)C(=O)Cc1noc2ccccc12.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide?
The InChIKey is PYPNMVMDQVJEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(8-14)16(2)13(17)7-11-10-5-3-4-6-12(10)18-15-11/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide?
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide has a molecular weight of 247.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 119585056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).