3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one

C13H17NO3 — CID 117274608

IUPAC3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
SMILESO=C1OC(CCO)CCN1Cc1ccccc1
InChIInChI=1S/C13H17NO3/c15-9-7-12-6-8-14(13(16)17-12)10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKeyKODLHHFDMWECBG-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.78
Rot. Bonds4

About 3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one

3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one (PubChem CID 117274608) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
PubChem CID117274608
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
SMILESO=C1OC(CCO)CCN1Cc1ccccc1
InChIInChI=1S/C13H17NO3/c15-9-7-12-6-8-14(13(16)17-12)10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKeyKODLHHFDMWECBG-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-3-benzyl-6-(dihydroxymethyl)-1,3-oxazinan-2-one
CID 70601041
3-benzyl-2-oxo-1,3-oxazinane-6-carbonitrile
CID 117010446
3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064858
3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064830
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
3-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-6-yl]propanoic acid
CID 117011105
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 161152450
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695
1,4-dibenzylpiperidin-2-one
CID 57246894

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one (CID 117274608) is 3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one is O=C1OC(CCO)CCN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The InChIKey is KODLHHFDMWECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-9-7-12-6-8-14(13(16)17-12)10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2.
What are the key properties of 3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117274608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).