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

C10H15NO3 — CID 66643541

IUPACethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
SMILESCCCc1noc(C)c1C(=O)OCC
InChIInChI=1S/C10H15NO3/c1-4-6-8-9(7(3)14-11-8)10(12)13-5-2/h4-6H2,1-3H3
InChIKeyXWLUJMRYFZXJSG-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.11
Rot. Bonds4

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

ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate (PubChem CID 66643541) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
PubChem CID66643541
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
SMILESCCCc1noc(C)c1C(=O)OCC
InChIInChI=1S/C10H15NO3/c1-4-6-8-9(7(3)14-11-8)10(12)13-5-2/h4-6H2,1-3H3
InChIKeyXWLUJMRYFZXJSG-UHFFFAOYSA-N
XLogP2.11
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-methyl-3-propyl-1,2-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 5-methyl-3-propyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate (CID 66643541) is ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate is CCCc1noc(C)c1C(=O)OCC.
What is the InChIKey of ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate?
The InChIKey is XWLUJMRYFZXJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-6-8-9(7(3)14-11-8)10(12)13-5-2/h4-6H2,1-3H3.
What are the key properties of ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate?
ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 66643541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).