[2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate

C20H14N2O5 — CID 1332468

IUPAC[2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H14N2O5/c23-18(13-26-20(25)17-12-21-10-11-22-17)14-6-8-16(9-7-14)27-19(24)15-4-2-1-3-5-15/h1-12H,13H2
InChIKeyOLNLHKXJFIURPN-UHFFFAOYSA-N
MW362.34 g/mol
LogP2.74
Rot. Bonds6

About [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate

[2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 1332468) has the molecular formula C20H14N2O5 and a molecular weight of 362.34 g/mol. Its IUPAC name is [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID1332468
Molecular FormulaC20H14N2O5
Molecular Weight362.34 g/mol
Exact Mass362.09
IUPAC Name[2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H14N2O5/c23-18(13-26-20(25)17-12-21-10-11-22-17)14-6-8-16(9-7-14)27-19(24)15-4-2-1-3-5-15/h1-12H,13H2
InChIKeyOLNLHKXJFIURPN-UHFFFAOYSA-N
XLogP2.74
TPSA95.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-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 [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate (CID 1332468) is [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is OLNLHKXJFIURPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O5/c23-18(13-26-20(25)17-12-21-10-11-22-17)14-6-8-16(9-7-14)27-19(24)15-4-2-1-3-5-15/h1-12H,13H2.
What are the key properties of [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 362.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 1332468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).