(3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine

C18H20N2O2 — CID 102169361

IUPAC(3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine
SMILESc1ccc([C@H]2CO[C@@H]3N[C@@H](c4ccccc4)CO[C@@H]3N2)cc1
InChIInChI=1S/C18H20N2O2/c1-3-7-13(8-4-1)15-11-21-18-17(19-15)22-12-16(20-18)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16-,17+,18+/m1/s1
InChIKeyFVEIEWAQINVXCN-BDXSIMOUSA-N
MW296.37 g/mol
LogP2.36
Rot. Bonds2

About (3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine

(3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine (PubChem CID 102169361) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name(3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine
PubChem CID102169361
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine
SMILESc1ccc([C@H]2CO[C@@H]3N[C@@H](c4ccccc4)CO[C@@H]3N2)cc1
InChIInChI=1S/C18H20N2O2/c1-3-7-13(8-4-1)15-11-21-18-17(19-15)22-12-16(20-18)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16-,17+,18+/m1/s1
InChIKeyFVEIEWAQINVXCN-BDXSIMOUSA-N
XLogP2.36
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine with MolForge

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Related Compounds

bis(4-phenyl-1,3-oxazolidin-2-yl)methanone
CID 174878189
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(2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol
CID 11139455
(3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane
CID 24741570
6-tert-butyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 63183778
(3R,5R)-3-methyl-5-phenylmorpholin-2-one
CID 15042724
2-phenyloxirane
CID 7276
(4S)-4-phenyl-1,3-oxazolidine
CID 54050063
6-ethyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 55159045
ethane;(2S)-2-phenylaziridine
CID 145185749
ethane;2-phenyloxirane
CID 54171856
(5R)-3-(4-methylphenyl)-5-phenylmorpholin-2-one
CID 11818002

Frequently Asked Questions

What is the IUPAC name of (3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine?
The IUPAC name of (3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine (CID 102169361) is (3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine.
What is the SMILES notation for (3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine?
The canonical SMILES for (3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine is c1ccc([C@H]2CO[C@@H]3N[C@@H](c4ccccc4)CO[C@@H]3N2)cc1.
What is the InChIKey of (3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine?
The InChIKey is FVEIEWAQINVXCN-BDXSIMOUSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-7-13(8-4-1)15-11-21-18-17(19-15)22-12-16(20-18)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16-,17+,18+/m1/s1.
What are the key properties of (3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine?
(3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine has a molecular weight of 296.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine is sourced from PubChem (CID 102169361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).