6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one

C15H22N2O3 — CID 143755138

IUPAC6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one
SMILESCc1ccc(C(C)N2CCC(CCCO)OC2=O)cn1
InChIInChI=1S/C15H22N2O3/c1-11-5-6-13(10-16-11)12(2)17-8-7-14(4-3-9-18)20-15(17)19/h5-6,10,12,14,18H,3-4,7-9H2,1-2H3
InChIKeyKYYQVYUTFVHGBG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.43
Rot. Bonds5

About 6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one

6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one (PubChem CID 143755138) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one
PubChem CID143755138
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one
SMILESCc1ccc(C(C)N2CCC(CCCO)OC2=O)cn1
InChIInChI=1S/C15H22N2O3/c1-11-5-6-13(10-16-11)12(2)17-8-7-14(4-3-9-18)20-15(17)19/h5-6,10,12,14,18H,3-4,7-9H2,1-2H3
InChIKeyKYYQVYUTFVHGBG-UHFFFAOYSA-N
XLogP2.43
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one (CID 143755138) is 6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one is Cc1ccc(C(C)N2CCC(CCCO)OC2=O)cn1.
What is the InChIKey of 6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one?
The InChIKey is KYYQVYUTFVHGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-5-6-13(10-16-11)12(2)17-8-7-14(4-3-9-18)20-15(17)19/h5-6,10,12,14,18H,3-4,7-9H2,1-2H3.
What are the key properties of 6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one?
6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one has a molecular weight of 278.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 143755138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).