6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one

C19H22N2O3 — CID 143755219

IUPAC6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESCC(c1ccc(-c2ccccn2)cc1)N1CCC(CCO)OC1=O
InChIInChI=1S/C19H22N2O3/c1-14(21-12-9-17(10-13-22)24-19(21)23)15-5-7-16(8-6-15)18-4-2-3-11-20-18/h2-8,11,14,17,22H,9-10,12-13H2,1H3
InChIKeyIJJRFKZLKASFJO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.40
Rot. Bonds5

About 6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one

6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one (PubChem CID 143755219) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one
PubChem CID143755219
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESCC(c1ccc(-c2ccccn2)cc1)N1CCC(CCO)OC1=O
InChIInChI=1S/C19H22N2O3/c1-14(21-12-9-17(10-13-22)24-19(21)23)15-5-7-16(8-6-15)18-4-2-3-11-20-18/h2-8,11,14,17,22H,9-10,12-13H2,1H3
InChIKeyIJJRFKZLKASFJO-UHFFFAOYSA-N
XLogP3.40
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one (CID 143755219) is 6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one is CC(c1ccc(-c2ccccn2)cc1)N1CCC(CCO)OC1=O.
What is the InChIKey of 6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one?
The InChIKey is IJJRFKZLKASFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(21-12-9-17(10-13-22)24-19(21)23)15-5-7-16(8-6-15)18-4-2-3-11-20-18/h2-8,11,14,17,22H,9-10,12-13H2,1H3.
What are the key properties of 6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one?
6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one has a molecular weight of 326.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 143755219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).