ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate

C9H11NO3 — CID 23006225

IUPACethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate
SMILESCCOC(=O)c1noc2c1CCC2
InChIInChI=1S/C9H11NO3/c1-2-12-9(11)8-6-4-3-5-7(6)13-10-8/h2-5H2,1H3
InChIKeyCAJBQPZCGFXGKT-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.34
Rot. Bonds2

About ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate

ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate (PubChem CID 23006225) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate
PubChem CID23006225
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate
SMILESCCOC(=O)c1noc2c1CCC2
InChIInChI=1S/C9H11NO3/c1-2-12-9(11)8-6-4-3-5-7(6)13-10-8/h2-5H2,1H3
InChIKeyCAJBQPZCGFXGKT-UHFFFAOYSA-N
XLogP1.34
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-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 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate?
The IUPAC name of ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate (CID 23006225) is ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate?
The canonical SMILES for ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate is CCOC(=O)c1noc2c1CCC2.
What is the InChIKey of ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate?
The InChIKey is CAJBQPZCGFXGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-12-9(11)8-6-4-3-5-7(6)13-10-8/h2-5H2,1H3.
What are the key properties of ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate?
ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylate is sourced from PubChem (CID 23006225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).