3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C12H17N3O3 — CID 113115709

IUPAC3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESC=CCN(CCC(=O)Nc1cc(C)on1)C(C)=O
InChIInChI=1S/C12H17N3O3/c1-4-6-15(10(3)16)7-5-12(17)13-11-8-9(2)18-14-11/h4,8H,1,5-7H2,2-3H3,(H,13,14,17)
InChIKeyPGKWMWJSUDHZTR-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.35
Rot. Bonds6

About 3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 113115709) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID113115709
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESC=CCN(CCC(=O)Nc1cc(C)on1)C(C)=O
InChIInChI=1S/C12H17N3O3/c1-4-6-15(10(3)16)7-5-12(17)13-11-8-9(2)18-14-11/h4,8H,1,5-7H2,2-3H3,(H,13,14,17)
InChIKeyPGKWMWJSUDHZTR-UHFFFAOYSA-N
XLogP1.35
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide 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

3-[2-hydroxyethyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 111423304
3-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113116105
3-[acetyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113117245
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylbutanamide
CID 4616353
ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate
CID 78978554
2,2-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylacetamide
CID 42770232
3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118178
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylhexanamide
CID 4616355
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118715
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide
CID 42770234
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113121052

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 113115709) is 3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is C=CCN(CCC(=O)Nc1cc(C)on1)C(C)=O.
What is the InChIKey of 3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is PGKWMWJSUDHZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-6-15(10(3)16)7-5-12(17)13-11-8-9(2)18-14-11/h4,8H,1,5-7H2,2-3H3,(H,13,14,17).
What are the key properties of 3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 251.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 113115709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).