(5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one

C18H20N2O2 — CID 11120016

IUPAC(5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)NN1CCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-14-17(16-10-6-3-7-11-16)22-18(21)19-20(14)13-12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyABXDRSOTXVTLIK-YOEHRIQHSA-N
MW296.37 g/mol
LogP3.32
Rot. Bonds4

About (5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one

(5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one (PubChem CID 11120016) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one.

Molecular Properties

Compound Name(5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one
PubChem CID11120016
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)NN1CCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-14-17(16-10-6-3-7-11-16)22-18(21)19-20(14)13-12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyABXDRSOTXVTLIK-YOEHRIQHSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6S)-4,5-dimethyl-6-phenyl-3-(3-phenylpropanoyl)-1,3,4-oxadiazinan-2-one
CID 11046023
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
(5S,6R)-4-(2,2-dimethylpropyl)-5-methyl-6-phenyl-1,3,4-oxadiazinane-2-thione
CID 10858834
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one
CID 19370117
(5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione
CID 11117641
3,4-diphenyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 102100803
(2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
CID 10756696
ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932
(2R,3R)-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 22216391
(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 101245141
(5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one
CID 71413482

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one?
The IUPAC name of (5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one (CID 11120016) is (5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one.
What is the SMILES notation for (5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one?
The canonical SMILES for (5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one is C[C@H]1[C@@H](c2ccccc2)OC(=O)NN1CCc1ccccc1.
What is the InChIKey of (5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one?
The InChIKey is ABXDRSOTXVTLIK-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14-17(16-10-6-3-7-11-16)22-18(21)19-20(14)13-12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,19,21)/t14-,17-/m0/s1.
What are the key properties of (5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one?
(5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one has a molecular weight of 296.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one is sourced from PubChem (CID 11120016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).