ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate

C11H10N2O3 — CID 15123600

IUPACethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccncc1
InChIInChI=1S/C11H10N2O3/c1-2-15-11(14)9-10(16-7-13-9)8-3-5-12-6-4-8/h3-7H,2H2,1H3
InChIKeyRWLKPFWMEKYVEO-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.91
Rot. Bonds3

About ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate

ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate (PubChem CID 15123600) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate
PubChem CID15123600
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Nameethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccncc1
InChIInChI=1S/C11H10N2O3/c1-2-15-11(14)9-10(16-7-13-9)8-3-5-12-6-4-8/h3-7H,2H2,1H3
InChIKeyRWLKPFWMEKYVEO-UHFFFAOYSA-N
XLogP1.91
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-pyridin-4-yl-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-pyridin-4-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate (CID 15123600) is ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1ccncc1.
What is the InChIKey of ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate?
The InChIKey is RWLKPFWMEKYVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-15-11(14)9-10(16-7-13-9)8-3-5-12-6-4-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate?
ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-pyridin-4-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 15123600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).