methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate

C11H16N2O4 — CID 110718536

IUPACmethyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCCc1coc(C)n1
InChIInChI=1S/C11H16N2O4/c1-8-13-9(7-17-8)5-6-12-10(14)3-4-11(15)16-2/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyLXDMVPZWKFUMCQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.59
Rot. Bonds6

About methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate

methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate (PubChem CID 110718536) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate
PubChem CID110718536
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCCc1coc(C)n1
InChIInChI=1S/C11H16N2O4/c1-8-13-9(7-17-8)5-6-12-10(14)3-4-11(15)16-2/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyLXDMVPZWKFUMCQ-UHFFFAOYSA-N
XLogP0.59
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]propanamide
CID 110718606
3-methyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]butanamide
CID 110718533
2-(4-fluorophenoxy)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718630
2,2-dimethyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]propanamide
CID 110718537
3,5-dimethoxy-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718557
2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718625
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679194
3-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)propanamide
CID 110679163
1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea
CID 110747852
N-[2-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-2-oxoethyl]benzamide
CID 110743047
2-(3-fluorophenoxy)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718629
3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 110836055

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate?
The IUPAC name of methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate (CID 110718536) is methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate is COC(=O)CCC(=O)NCCc1coc(C)n1.
What is the InChIKey of methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate?
The InChIKey is LXDMVPZWKFUMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8-13-9(7-17-8)5-6-12-10(14)3-4-11(15)16-2/h7H,3-6H2,1-2H3,(H,12,14).
What are the key properties of methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate?
methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate has a molecular weight of 240.26 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate is sourced from PubChem (CID 110718536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).