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

C9H13NO3 — CID 11063064

IUPACethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)oc1C
InChIInChI=1S/C9H13NO3/c1-4-7-10-8(6(3)13-7)9(11)12-5-2/h4-5H2,1-3H3
InChIKeyQYSNAPIRTNZXTF-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.72
Rot. Bonds3

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

ethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 11063064) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate
PubChem CID11063064
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)oc1C
InChIInChI=1S/C9H13NO3/c1-4-7-10-8(6(3)13-7)9(11)12-5-2/h4-5H2,1-3H3
InChIKeyQYSNAPIRTNZXTF-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

Analyze ethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate (CID 11063064) is ethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(CC)oc1C.
What is the InChIKey of ethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is QYSNAPIRTNZXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-4-7-10-8(6(3)13-7)9(11)12-5-2/h4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate?
ethyl 2-ethyl-5-methyl-1,3-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 2-ethyl-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11063064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).