ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate

C9H11NO3 — CID 70037084

IUPACethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate
SMILESC=CCc1ocnc1C(=O)OCC
InChIInChI=1S/C9H11NO3/c1-3-5-7-8(10-6-13-7)9(11)12-4-2/h3,6H,1,4-5H2,2H3
InChIKeyGYVTUBQZTUEENA-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.58
Rot. Bonds4

About ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate

ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate (PubChem CID 70037084) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate
PubChem CID70037084
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate
SMILESC=CCc1ocnc1C(=O)OCC
InChIInChI=1S/C9H11NO3/c1-3-5-7-8(10-6-13-7)9(11)12-4-2/h3,6H,1,4-5H2,2H3
InChIKeyGYVTUBQZTUEENA-UHFFFAOYSA-N
XLogP1.58
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 5-prop-2-enyl-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

Related Compounds

Ethyl 5-methyl-1,3-oxazole-4-carboxylate
CID 12214101
4-Oxazolecarboxylic acid, 5-ethyl-, ethyl ester
CID 12214102
Ethyl 5-cyclopropyloxazole-4-carboxylate
CID 13496996
Ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate
CID 21031491
5-(1,1-Dimethylethyl)-4-oxazolecarboxylic acid
CID 22055236
5-Ethyl-1,3-oxazole-4-carboxylic acid
CID 28064054
Ethyl 5-isopropyloxazole-4-carboxylate
CID 12214103
Ethyl 5-hexyloxazole-4-carboxylate
CID 13496994
Ethyl 5-cyclobutyloxazole-4-carboxylate
CID 18983302
Ethyl 5-(1-fluorocyclopropyl)-1,3-oxazole-4-carboxylate
CID 156360306
Ethyl 5-(3-fluorobut-3-enyl)-1,3-oxazole-4-carboxylate
CID 169579010
Ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate
CID 170720426

Frequently Asked Questions

What is the IUPAC name of ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate (CID 70037084) is ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate is C=CCc1ocnc1C(=O)OCC.
What is the InChIKey of ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate?
The InChIKey is GYVTUBQZTUEENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-5-7-8(10-6-13-7)9(11)12-4-2/h3,6H,1,4-5H2,2H3.
What are the key properties of ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate?
ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-prop-2-enyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 70037084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).