methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate

C12H18N2O4 — CID 54979990

IUPACmethyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cc1c(C)noc1C
InChIInChI=1S/C12H18N2O4/c1-8-10(9(2)18-13-8)7-11(15)14(3)6-5-12(16)17-4/h5-7H2,1-4H3
InChIKeyCQOKGNJVMBJSBC-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.86
Rot. Bonds5

About methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate

methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate (PubChem CID 54979990) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate
PubChem CID54979990
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cc1c(C)noc1C
InChIInChI=1S/C12H18N2O4/c1-8-10(9(2)18-13-8)7-11(15)14(3)6-5-12(16)17-4/h5-7H2,1-4H3
InChIKeyCQOKGNJVMBJSBC-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate
CID 43407679
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243431
methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate
CID 54940779
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 32761183
methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate
CID 54997668
ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate
CID 61008485
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 75459712
N-[2-(dimethylamino)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 31337042
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide
CID 78847325
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
CID 54997473

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate (CID 54979990) is methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate is COC(=O)CCN(C)C(=O)Cc1c(C)noc1C.
What is the InChIKey of methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate?
The InChIKey is CQOKGNJVMBJSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8-10(9(2)18-13-8)7-11(15)14(3)6-5-12(16)17-4/h5-7H2,1-4H3.
What are the key properties of methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate?
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate has a molecular weight of 254.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate is sourced from PubChem (CID 54979990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).