5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one

C12H15NO3 — CID 117011525

IUPAC5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1ccc(N2CC(CO)COC2=O)cc1
InChIInChI=1S/C12H15NO3/c1-9-2-4-11(5-3-9)13-6-10(7-14)8-16-12(13)15/h2-5,10,14H,6-8H2,1H3
InChIKeyBUJWRIORYBEGGO-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.56
Rot. Bonds2

About 5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one

5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one (PubChem CID 117011525) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
PubChem CID117011525
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1ccc(N2CC(CO)COC2=O)cc1
InChIInChI=1S/C12H15NO3/c1-9-2-4-11(5-3-9)13-6-10(7-14)8-16-12(13)15/h2-5,10,14H,6-8H2,1H3
InChIKeyBUJWRIORYBEGGO-UHFFFAOYSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one
CID 117011560
3-(4-methylphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 83850738
3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011573
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
5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one
CID 117002268
5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one
CID 117002233
5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one
CID 117002404
5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
CID 117002393
3-tert-butyl-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011518
3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
CID 117002473
(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 95564147

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one (CID 117011525) is 5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one is Cc1ccc(N2CC(CO)COC2=O)cc1.
What is the InChIKey of 5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one?
The InChIKey is BUJWRIORYBEGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-2-4-11(5-3-9)13-6-10(7-14)8-16-12(13)15/h2-5,10,14H,6-8H2,1H3.
What are the key properties of 5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one?
5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).