[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate

C19H14N2O4 — CID 59252378

IUPAC[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)c1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C19H14N2O4/c22-17(13-24-18(23)14-7-3-1-4-8-14)15-11-20-19(21-12-15)25-16-9-5-2-6-10-16/h1-12H,13H2
InChIKeyNLOLNWNCZXNVMK-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.31
Rot. Bonds6

About [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate

[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate (PubChem CID 59252378) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate
PubChem CID59252378
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)c1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C19H14N2O4/c22-17(13-24-18(23)14-7-3-1-4-8-14)15-11-20-19(21-12-15)25-16-9-5-2-6-10-16/h1-12H,13H2
InChIKeyNLOLNWNCZXNVMK-UHFFFAOYSA-N
XLogP3.31
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate
CID 59252455
phenacyl 4-[4-(4-phenacyloxycarbonylphenoxy)benzoyl]benzoate
CID 3094530
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907
phenacyl 4-aminobenzoate
CID 781350
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
[2-(4-bromophenyl)-2-oxoethyl] 3-phenoxybenzoate
CID 7701050
[2-(4-acetyloxyphenyl)-2-oxoethyl] benzoate
CID 4569147
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
[2-[4-(3,4-dicyanophenoxy)phenyl]-2-oxoethyl] benzoate
CID 3876519
[2-(4-fluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7625196
[2-(4-bromophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 18276849
phenacyl 5-bromopyridine-3-carboxylate
CID 2586792

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate?
The IUPAC name of [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate (CID 59252378) is [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate.
What is the SMILES notation for [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate?
The canonical SMILES for [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate is O=C(COC(=O)c1ccccc1)c1cnc(Oc2ccccc2)nc1.
What is the InChIKey of [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate?
The InChIKey is NLOLNWNCZXNVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-17(13-24-18(23)14-7-3-1-4-8-14)15-11-20-19(21-12-15)25-16-9-5-2-6-10-16/h1-12H,13H2.
What are the key properties of [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate?
[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate has a molecular weight of 334.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate is sourced from PubChem (CID 59252378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).