3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide

C11H19N3O2 — CID 79241462

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNCc1c(C)noc1C
InChIInChI=1S/C11H19N3O2/c1-4-13-11(15)5-6-12-7-10-8(2)14-16-9(10)3/h12H,4-7H2,1-3H3,(H,13,15)
InChIKeyLRKRKGZALGYMNL-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.91
Rot. Bonds6

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide (PubChem CID 79241462) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide
PubChem CID79241462
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNCc1c(C)noc1C
InChIInChI=1S/C11H19N3O2/c1-4-13-11(15)5-6-12-7-10-8(2)14-16-9(10)3/h12H,4-7H2,1-3H3,(H,13,15)
InChIKeyLRKRKGZALGYMNL-UHFFFAOYSA-N
XLogP0.91
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide 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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 86908068
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
CID 83111738
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
CID 60623814
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate
CID 60812133
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide
CID 79241622
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
CID 60920492
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide (CID 79241462) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide is CCNC(=O)CCNCc1c(C)noc1C.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide?
The InChIKey is LRKRKGZALGYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-13-11(15)5-6-12-7-10-8(2)14-16-9(10)3/h12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide has a molecular weight of 225.29 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide is sourced from PubChem (CID 79241462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).