[2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate

C19H14N2O3 — CID 686192

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H14N2O3/c22-18(13-24-19(23)17-12-20-10-11-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyBNYWAWPGPIOJJT-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.18
Rot. Bonds5

About [2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate

[2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate (PubChem CID 686192) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate
PubChem CID686192
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H14N2O3/c22-18(13-24-19(23)17-12-20-10-11-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyBNYWAWPGPIOJJT-UHFFFAOYSA-N
XLogP3.18
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate (CID 686192) is [2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate?
The InChIKey is BNYWAWPGPIOJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-18(13-24-19(23)17-12-20-10-11-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate?
[2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 686192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).