ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate

C10H15NO4 — CID 44549790

IUPACethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate
SMILESCCCn1oc(=O)c(C(=O)OCC)c1C
InChIInChI=1S/C10H15NO4/c1-4-6-11-7(3)8(10(13)15-11)9(12)14-5-2/h4-6H2,1-3H3
InChIKeyJTNYEDJAMCUQOD-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.34
Rot. Bonds4

About ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate

ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate (PubChem CID 44549790) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate
PubChem CID44549790
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate
SMILESCCCn1oc(=O)c(C(=O)OCC)c1C
InChIInChI=1S/C10H15NO4/c1-4-6-11-7(3)8(10(13)15-11)9(12)14-5-2/h4-6H2,1-3H3
InChIKeyJTNYEDJAMCUQOD-UHFFFAOYSA-N
XLogP1.34
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate
CID 58307485
ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate
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ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate
CID 69086572
ethyl 4,5,6-trifluoro-3-oxo-1,2-dihydroindazole-7-carboxylate
CID 45140710
ethyl 4-acetyloxy-1,2-dimethylpyrrole-3-carboxylate
CID 121006178
ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate
CID 565865
diethyl 2,5-diethyl-3,6-dihydroxybenzene-1,4-dicarboxylate
CID 176550892
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
CID 70386750
ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 52563002
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
diethyl 1-benzoyl-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 11371307
ethyl 3,5-dibromo-1-methylpyrazole-4-carboxylate
CID 24799526

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate (CID 44549790) is ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate is CCCn1oc(=O)c(C(=O)OCC)c1C.
What is the InChIKey of ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate?
The InChIKey is JTNYEDJAMCUQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-4-6-11-7(3)8(10(13)15-11)9(12)14-5-2/h4-6H2,1-3H3.
What are the key properties of ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate?
ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 44549790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).