methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate

C11H16N2O4 — CID 66335427

IUPACmethyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1oncc1C
InChIInChI=1S/C11H16N2O4/c1-8-7-12-17-10(8)11(15)13(2)6-4-5-9(14)16-3/h7H,4-6H2,1-3H3
InChIKeyJHAHLACRCZFXJS-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.01
Rot. Bonds5

About methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate

methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate (PubChem CID 66335427) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate
PubChem CID66335427
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1oncc1C
InChIInChI=1S/C11H16N2O4/c1-8-7-12-17-10(8)11(15)13(2)6-4-5-9(14)16-3/h7H,4-6H2,1-3H3
InChIKeyJHAHLACRCZFXJS-UHFFFAOYSA-N
XLogP1.01
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate 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 methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate (CID 66335427) is methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate is COC(=O)CCCN(C)C(=O)c1oncc1C.
What is the InChIKey of methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate?
The InChIKey is JHAHLACRCZFXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8-7-12-17-10(8)11(15)13(2)6-4-5-9(14)16-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate?
methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate has a molecular weight of 240.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate is sourced from PubChem (CID 66335427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).