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

C9H13NO3 — CID 3745090

IUPACethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(CC)noc1C
InChIInChI=1S/C9H13NO3/c1-4-7-8(6(3)13-10-7)9(11)12-5-2/h4-5H2,1-3H3
InChIKeyJDWLDZUUTIPZHV-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.72
Rot. Bonds3

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

ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 3745090) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID3745090
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(CC)noc1C
InChIInChI=1S/C9H13NO3/c1-4-7-8(6(3)13-10-7)9(11)12-5-2/h4-5H2,1-3H3
InChIKeyJDWLDZUUTIPZHV-UHFFFAOYSA-N
XLogP1.72
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 3745090) is ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(CC)noc1C.
What is the InChIKey of ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is JDWLDZUUTIPZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-4-7-8(6(3)13-10-7)9(11)12-5-2/h4-5H2,1-3H3.
What are the key properties of ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 3745090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).