(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one

C12H15NO2 — CID 122420073

IUPAC(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
SMILESC[C@@H]1COC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C12H15NO2/c1-10-7-13(12(14)15-9-10)8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-/m0/s1
InChIKeySDSUHKSSQWGMIC-JTQLQIEISA-N
MW205.26 g/mol
LogP2.27
Rot. Bonds2

About (5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one

(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one (PubChem CID 122420073) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
PubChem CID122420073
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
SMILESC[C@@H]1COC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C12H15NO2/c1-10-7-13(12(14)15-9-10)8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-/m0/s1
InChIKeySDSUHKSSQWGMIC-JTQLQIEISA-N
XLogP2.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
CID 54547332
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695
2-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazinan-5-yl]acetic acid
CID 117002150
3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 161152450
6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene
CID 138624121
(5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one
CID 50901183
(3S,4S)-1-benzyl-4-ethyl-3-methylpyrrolidin-2-one
CID 59034735
4-benzyl-6-methylthiomorpholin-3-one
CID 10560956
3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane
CID 144657002
5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 25174081
5-(methylaminomethyl)-3-(pyridin-4-ylmethyl)-1,3-oxazinan-2-one
CID 117002311

Frequently Asked Questions

What is the IUPAC name of (5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one?
The IUPAC name of (5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one (CID 122420073) is (5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for (5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one?
The canonical SMILES for (5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one is C[C@@H]1COC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one?
The InChIKey is SDSUHKSSQWGMIC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO2/c1-10-7-13(12(14)15-9-10)8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-/m0/s1.
What are the key properties of (5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one?
(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 122420073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).