methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate

C12H18N2O4 — CID 54997668

IUPACmethyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate
SMILESCCc1noc(C)c1C(=O)N(C)CCC(=O)OC
InChIInChI=1S/C12H18N2O4/c1-5-9-11(8(2)18-13-9)12(16)14(3)7-6-10(15)17-4/h5-7H2,1-4H3
InChIKeyDMEYNVKXCCAPNE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.18
Rot. Bonds5

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

methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate (PubChem CID 54997668) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate
PubChem CID54997668
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate
SMILESCCc1noc(C)c1C(=O)N(C)CCC(=O)OC
InChIInChI=1S/C12H18N2O4/c1-5-9-11(8(2)18-13-9)12(16)14(3)7-6-10(15)17-4/h5-7H2,1-4H3
InChIKeyDMEYNVKXCCAPNE-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate
CID 54940779
N,N,3-triethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 51073384
3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 60825607
3-ethyl-N-(2-hydroxyethyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43573763
ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate
CID 61008042
N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 115771797
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate
CID 54979990
N-[3-(dimethylamino)-3-oxopropyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47417059
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9206070
3-ethyl-N-(furan-3-ylmethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 74250183
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 31363980

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate (CID 54997668) is methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate is CCc1noc(C)c1C(=O)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate?
The InChIKey is DMEYNVKXCCAPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-5-9-11(8(2)18-13-9)12(16)14(3)7-6-10(15)17-4/h5-7H2,1-4H3.
What are the key properties of methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate?
methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate has a molecular weight of 254.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 54997668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).