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

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Related Compounds

methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate
CID 66336334
methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate
CID 54940779
methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate
CID 62659533
methyl 4-[(4,5-dimethylthiophene-2-carbonyl)-methylamino]butanoate
CID 54940815
methyl 4-[(4-chloro-3-methylbenzoyl)-methylamino]butanoate
CID 112699203
methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate
CID 54943241
methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate
CID 55006160
4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid
CID 66336296
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
methyl 4-[(5-amino-2,4-dimethylbenzoyl)-methylamino]butanoate
CID 102705214
methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate
CID 55219475
methyl 4-[furan-2-carbonyl(methyl)amino]butanoate
CID 60714315

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).