4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate

C9H11NO5 — CID 15682534

IUPAC4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OC)noc1C
InChIInChI=1S/C9H11NO5/c1-4-14-8(11)6-5(2)15-10-7(6)9(12)13-3/h4H2,1-3H3
InChIKeyROQOWLQEPBRWSI-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.95
Rot. Bonds3

About 4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate

4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate (PubChem CID 15682534) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate
PubChem CID15682534
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OC)noc1C
InChIInChI=1S/C9H11NO5/c1-4-14-8(11)6-5(2)15-10-7(6)9(12)13-3/h4H2,1-3H3
InChIKeyROQOWLQEPBRWSI-UHFFFAOYSA-N
XLogP0.95
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate (CID 15682534) is 4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate is CCOC(=O)c1c(C(=O)OC)noc1C.
What is the InChIKey of 4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate?
The InChIKey is ROQOWLQEPBRWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-4-14-8(11)6-5(2)15-10-7(6)9(12)13-3/h4H2,1-3H3.
What are the key properties of 4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate?
4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate has a molecular weight of 213.19 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 3-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate is sourced from PubChem (CID 15682534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).