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

C13H17NO4 — CID 117011560

IUPAC5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one
SMILESCOc1ccc(C)cc1N1CC(CO)COC1=O
InChIInChI=1S/C13H17NO4/c1-9-3-4-12(17-2)11(5-9)14-6-10(7-15)8-18-13(14)16/h3-5,10,15H,6-8H2,1-2H3
InChIKeyIJLLPKXKXJOJDD-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.57
Rot. Bonds3

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

5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one (PubChem CID 117011560) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one
PubChem CID117011560
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one
SMILESCOc1ccc(C)cc1N1CC(CO)COC1=O
InChIInChI=1S/C13H17NO4/c1-9-3-4-12(17-2)11(5-9)14-6-10(7-15)8-18-13(14)16/h3-5,10,15H,6-8H2,1-2H3
InChIKeyIJLLPKXKXJOJDD-UHFFFAOYSA-N
XLogP1.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
CID 117011525
5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one
CID 117002233
5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one
CID 117011181
3-(2-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011572
5-(2-aminoethyl)-3-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one
CID 117002431
methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methoxybenzoate
CID 168662302
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78823927
3-(2,5-dimethylphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010264
2-methylprop-2-enyl 1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 78831303
1-(2-methoxy-5-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119401734
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870
1-(2-methoxy-5-methylphenyl)-5-oxo-N,N-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 56530400

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one (CID 117011560) is 5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one is COc1ccc(C)cc1N1CC(CO)COC1=O.
What is the InChIKey of 5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one?
The InChIKey is IJLLPKXKXJOJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-3-4-12(17-2)11(5-9)14-6-10(7-15)8-18-13(14)16/h3-5,10,15H,6-8H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one?
5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one has a molecular weight of 251.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).