ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate

C13H13NO4 — CID 46942091

IUPACethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1cccc(OC)c1
InChIInChI=1S/C13H13NO4/c1-3-17-13(15)11-12(18-8-14-11)9-5-4-6-10(7-9)16-2/h4-8H,3H2,1-2H3
InChIKeyJBBPWAYMBOIZNA-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.53
Rot. Bonds4

About ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate

ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 46942091) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID46942091
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Nameethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1cccc(OC)c1
InChIInChI=1S/C13H13NO4/c1-3-17-13(15)11-12(18-8-14-11)9-5-4-6-10(7-9)16-2/h4-8H,3H2,1-2H3
InChIKeyJBBPWAYMBOIZNA-UHFFFAOYSA-N
XLogP2.53
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(3-methoxyphenyl)-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 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate (CID 46942091) is ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1cccc(OC)c1.
What is the InChIKey of ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is JBBPWAYMBOIZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-17-13(15)11-12(18-8-14-11)9-5-4-6-10(7-9)16-2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate?
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46942091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).