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

C7H9NO4 — CID 10631006

IUPACethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)oc1C
InChIInChI=1S/C7H9NO4/c1-3-11-6(9)5-4(2)12-7(10)8-5/h3H2,1-2H3,(H,8,10)
InChIKeyYVJUSFMTOGLAID-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.45
Rot. Bonds2

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

ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate (PubChem CID 10631006) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate
PubChem CID10631006
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Nameethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)oc1C
InChIInChI=1S/C7H9NO4/c1-3-11-6(9)5-4(2)12-7(10)8-5/h3H2,1-2H3,(H,8,10)
InChIKeyYVJUSFMTOGLAID-UHFFFAOYSA-N
XLogP0.45
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-ethoxycarbonyl-3-ethyl-4-methyl-1H-pyrrole-2-carboxylate
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ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate
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ethyl 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)sulfanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate (CID 10631006) is ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate is CCOC(=O)c1[nH]c(=O)oc1C.
What is the InChIKey of ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate?
The InChIKey is YVJUSFMTOGLAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-3-11-6(9)5-4(2)12-7(10)8-5/h3H2,1-2H3,(H,8,10).
What are the key properties of ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate?
ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate has a molecular weight of 171.15 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10631006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).