5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one

C10H19NO4 — CID 117011136

IUPAC5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one
SMILESCOCCCN1CC(CCO)COC1=O
InChIInChI=1S/C10H19NO4/c1-14-6-2-4-11-7-9(3-5-12)8-15-10(11)13/h9,12H,2-8H2,1H3
InChIKeyXSPLDZDSXWGQQO-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.47
Rot. Bonds6

About 5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one

5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one (PubChem CID 117011136) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one
PubChem CID117011136
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one
SMILESCOCCCN1CC(CCO)COC1=O
InChIInChI=1S/C10H19NO4/c1-14-6-2-4-11-7-9(3-5-12)8-15-10(11)13/h9,12H,2-8H2,1H3
InChIKeyXSPLDZDSXWGQQO-UHFFFAOYSA-N
XLogP0.47
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
CID 117002450
5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one
CID 117011129
3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011507
5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one
CID 117011181
5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one
CID 117002464
3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one
CID 117002304
5-(hydroxymethyl)-3-(2-morpholin-4-ylethyl)-1,3-oxazinan-2-one
CID 117011506
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115071421
4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 168656366
6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009865
2-(3-ethyl-2-oxo-1,3-oxazinan-5-yl)acetic acid
CID 117002133

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one (CID 117011136) is 5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one is COCCCN1CC(CCO)COC1=O.
What is the InChIKey of 5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one?
The InChIKey is XSPLDZDSXWGQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-14-6-2-4-11-7-9(3-5-12)8-15-10(11)13/h9,12H,2-8H2,1H3.
What are the key properties of 5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one?
5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one has a molecular weight of 217.26 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).