(4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate

C19H14N2O4 — CID 976280

IUPAC(4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc(COC(=O)c2cnccn2)cc1
InChIInChI=1S/C19H14N2O4/c22-18(25-16-4-2-1-3-5-16)15-8-6-14(7-9-15)13-24-19(23)17-12-20-10-11-21-17/h1-12H,13H2
InChIKeyHGWISILKFVXAJB-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.05
Rot. Bonds5

About (4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate

(4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate (PubChem CID 976280) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is (4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate.

Molecular Properties

Compound Name(4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate
PubChem CID976280
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name(4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc(COC(=O)c2cnccn2)cc1
InChIInChI=1S/C19H14N2O4/c22-18(25-16-4-2-1-3-5-16)15-8-6-14(7-9-15)13-24-19(23)17-12-20-10-11-21-17/h1-12H,13H2
InChIKeyHGWISILKFVXAJB-UHFFFAOYSA-N
XLogP3.05
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Bifenazat metabolite
CID 139594559
(2,3,6-Trimethylphenyl) 5-methylpyrazine-2-carboxylate
CID 2446375
(4-Cyanophenyl) pyrazine-2-carboxylate
CID 2487110
(4-Methoxycarbonylphenyl) pyrazine-2-carboxylate
CID 2678019
(4-Phenylphenyl) 5-methylpyrazine-2-carboxylate
CID 7926506
2-{4-[(4-Methylbenzoyl)oxy]phenyl}-2-oxoethyl 2-pyrazinecarboxylate
CID 3832481
Pyrazinecarboxylic acid, 4-methylphenyl ester
CID 122713
Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester
CID 122714
[2-(4-Benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate
CID 1332468
(5-Acetyl-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate
CID 2534667
1-[3-(4-Methoxyphenyl)-4-(pyrazin-2-ylmethoxy)phenyl]ethanone
CID 145989906
[2-Oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate
CID 686192

Frequently Asked Questions

What is the IUPAC name of (4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate?
The IUPAC name of (4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate (CID 976280) is (4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate.
What is the SMILES notation for (4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate?
The canonical SMILES for (4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate is O=C(Oc1ccccc1)c1ccc(COC(=O)c2cnccn2)cc1.
What is the InChIKey of (4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate?
The InChIKey is HGWISILKFVXAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-18(25-16-4-2-1-3-5-16)15-8-6-14(7-9-15)13-24-19(23)17-12-20-10-11-21-17/h1-12H,13H2.
What are the key properties of (4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate?
(4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxycarbonylphenyl)methyl pyrazine-2-carboxylate is sourced from PubChem (CID 976280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).