ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate

C11H16N2O4 — CID 103737124

IUPACethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCc1ncc(C)o1
InChIInChI=1S/C11H16N2O4/c1-3-16-11(15)5-4-9(14)12-7-10-13-6-8(2)17-10/h6H,3-5,7H2,1-2H3,(H,12,14)
InChIKeyYUUMPZYBOKVIKW-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.94
Rot. Bonds6

About ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate

ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate (PubChem CID 103737124) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate
PubChem CID103737124
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCc1ncc(C)o1
InChIInChI=1S/C11H16N2O4/c1-3-16-11(15)5-4-9(14)12-7-10-13-6-8(2)17-10/h6H,3-5,7H2,1-2H3,(H,12,14)
InChIKeyYUUMPZYBOKVIKW-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
CID 86014949
Ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
CID 134997222
N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65184900
3-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 84766270
3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 84771395
2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947051
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106371739
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 106372351
2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate
CID 107258457
Ethyl 2,2-difluoro-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-oxopropanoate
CID 112743151
3-(5-Methyl-1,3-oxazol-2-yl)propan-1-amine
CID 22170009
3-(5-Methyl-1,3-oxazol-2-yl)propylcarbamic acid
CID 22170016

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate (CID 103737124) is ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)NCc1ncc(C)o1.
What is the InChIKey of ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate?
The InChIKey is YUUMPZYBOKVIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-16-11(15)5-4-9(14)12-7-10-13-6-8(2)17-10/h6H,3-5,7H2,1-2H3,(H,12,14).
What are the key properties of ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate?
ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate has a molecular weight of 240.26 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-4-oxobutanoate is sourced from PubChem (CID 103737124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).