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

C12H18N2O4 — CID 103949029

IUPACethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C12H18N2O4/c1-4-17-11(16)6-5-10(15)14-9(3)12-13-7-8(2)18-12/h7,9H,4-6H2,1-3H3,(H,14,15)
InChIKeyYHOLMGCDDJRLBB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.50
Rot. Bonds6

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

ethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate (PubChem CID 103949029) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate
PubChem CID103949029
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C12H18N2O4/c1-4-17-11(16)6-5-10(15)14-9(3)12-13-7-8(2)18-12/h7,9H,4-6H2,1-3H3,(H,14,15)
InChIKeyYHOLMGCDDJRLBB-UHFFFAOYSA-N
XLogP1.50
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-Methyl-1,3-oxazol-2-yl)methyl-propan-2-ylamino]acetamide
CID 71989151
ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate
CID 75374923
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
1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 103246018
1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 103893513
2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103893580
3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 103893772
2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947051
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 104579692

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate (CID 103949029) is ethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)NC(C)c1ncc(C)o1.
What is the InChIKey of ethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate?
The InChIKey is YHOLMGCDDJRLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-4-17-11(16)6-5-10(15)14-9(3)12-13-7-8(2)18-12/h7,9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of ethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate?
ethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate has a molecular weight of 254.29 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoate is sourced from PubChem (CID 103949029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).