methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate

C12H18N2O4 — CID 54940779

IUPACmethyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1c(C)noc1C
InChIInChI=1S/C12H18N2O4/c1-8-11(9(2)18-13-8)12(16)14(3)7-5-6-10(15)17-4/h5-7H2,1-4H3
InChIKeyOXHSPNSYPQSOJQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.32
Rot. Bonds5

About methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate

methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate (PubChem CID 54940779) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate
PubChem CID54940779
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1c(C)noc1C
InChIInChI=1S/C12H18N2O4/c1-8-11(9(2)18-13-8)12(16)14(3)7-5-6-10(15)17-4/h5-7H2,1-4H3
InChIKeyOXHSPNSYPQSOJQ-UHFFFAOYSA-N
XLogP1.32
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate
CID 54997668
methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate
CID 43406076
methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate
CID 66335427
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate
CID 54979990
methyl 4-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]butanoate
CID 62686347
methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate
CID 55006160
N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 54916722
methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate
CID 62659533
methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate
CID 55219475
methyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]butanoate
CID 134033364
methyl 4-[(4-chloro-3-methylbenzoyl)-methylamino]butanoate
CID 112699203
methyl 4-[(4,5-dimethylthiophene-2-carbonyl)-methylamino]butanoate
CID 54940815

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate?
The IUPAC name of methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate (CID 54940779) is methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate?
The canonical SMILES for methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate is COC(=O)CCCN(C)C(=O)c1c(C)noc1C.
What is the InChIKey of methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate?
The InChIKey is OXHSPNSYPQSOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8-11(9(2)18-13-8)12(16)14(3)7-5-6-10(15)17-4/h5-7H2,1-4H3.
What are the key properties of methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate?
methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate has a molecular weight of 254.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate is sourced from PubChem (CID 54940779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).