4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one

C14H19NO3 — CID 117011448

IUPAC4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one
SMILESCC(C)c1ccc(N2C(=O)OCCC2CO)cc1
InChIInChI=1S/C14H19NO3/c1-10(2)11-3-5-12(6-4-11)15-13(9-16)7-8-18-14(15)17/h3-6,10,13,16H,7-9H2,1-2H3
InChIKeyOWTHTSCGPLYGMW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.52
Rot. Bonds3

About 4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one

4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one (PubChem CID 117011448) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one
PubChem CID117011448
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one
SMILESCC(C)c1ccc(N2C(=O)OCCC2CO)cc1
InChIInChI=1S/C14H19NO3/c1-10(2)11-3-5-12(6-4-11)15-13(9-16)7-8-18-14(15)17/h3-6,10,13,16H,7-9H2,1-2H3
InChIKeyOWTHTSCGPLYGMW-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011455
4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010945
methyl 3-(4-chlorophenyl)-2-oxo-1,3-oxazinane-4-carboxylate
CID 24976381
3-(4-iodophenyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 86025189
[(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol
CID 138530480
3-[4-[(E,1R,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methoxy-2-methyl-6-oxohex-3-enyl]phenyl]-1,3-oxazolidin-2-one
CID 23757752
4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one
CID 117010856
6-methyl-3-propan-2-yl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 64956449
3-(4-bromophenyl)-2-oxo-1,3-oxazinane-4-carboxylic acid
CID 117010408
4-(4-propan-2-ylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2872644
2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid
CID 83849659
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710659

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one (CID 117011448) is 4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one is CC(C)c1ccc(N2C(=O)OCCC2CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one?
The InChIKey is OWTHTSCGPLYGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)11-3-5-12(6-4-11)15-13(9-16)7-8-18-14(15)17/h3-6,10,13,16H,7-9H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one?
4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).