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

C13H23N3O2 — CID 79241622

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCc1c(C)noc1C
InChIInChI=1S/C13H23N3O2/c1-5-11(6-2)15-13(17)8-14-7-12-9(3)16-18-10(12)4/h11,14H,5-8H2,1-4H3,(H,15,17)
InChIKeyRSAZKSUNXYRSMG-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.69
Rot. Bonds7

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide (PubChem CID 79241622) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide
PubChem CID79241622
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCc1c(C)noc1C
InChIInChI=1S/C13H23N3O2/c1-5-11(6-2)15-13(17)8-14-7-12-9(3)16-18-10(12)4/h11,14H,5-8H2,1-4H3,(H,15,17)
InChIKeyRSAZKSUNXYRSMG-UHFFFAOYSA-N
XLogP1.69
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide (CID 79241622) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNCc1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide?
The InChIKey is RSAZKSUNXYRSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-11(6-2)15-13(17)8-14-7-12-9(3)16-18-10(12)4/h11,14H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide has a molecular weight of 253.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 79241622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).