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

C13H17NO4 — CID 117011181

IUPAC5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one
SMILESCOc1ccccc1N1CC(CCO)COC1=O
InChIInChI=1S/C13H17NO4/c1-17-12-5-3-2-4-11(12)14-8-10(6-7-15)9-18-13(14)16/h2-5,10,15H,6-9H2,1H3
InChIKeyIIBMQRHELFEKJJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.65
Rot. Bonds4

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

5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one (PubChem CID 117011181) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one
PubChem CID117011181
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one
SMILESCOc1ccccc1N1CC(CCO)COC1=O
InChIInChI=1S/C13H17NO4/c1-17-12-5-3-2-4-11(12)14-8-10(6-7-15)9-18-13(14)16/h2-5,10,15H,6-9H2,1H3
InChIKeyIIBMQRHELFEKJJ-UHFFFAOYSA-N
XLogP1.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one
CID 117011560
3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 117011179
3-(2-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011572
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200
2-[1-(2-methoxyphenyl)-6,6-dimethylpiperidin-3-yl]ethanol
CID 117021351
5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one
CID 117002319
5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one
CID 117011136
4-(azidomethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 168656468
2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile
CID 117010595
1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 122715416
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
3-(2-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84786579

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one (CID 117011181) is 5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one is COc1ccccc1N1CC(CCO)COC1=O.
What is the InChIKey of 5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one?
The InChIKey is IIBMQRHELFEKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-12-5-3-2-4-11(12)14-8-10(6-7-15)9-18-13(14)16/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one?
5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one has a molecular weight of 251.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).