(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine

C20H24N2O2 — CID 10853443

IUPAC(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
SMILESc1ccc(CN2CO[C@H]3CN(Cc4ccccc4)CO[C@H]3C2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-7-17(8-4-1)11-21-13-19-20(23-15-21)14-22(16-24-19)12-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m0/s1
InChIKeyDHQXQCWLPNQOPU-PMACEKPBSA-N
MW324.42 g/mol
LogP2.70
Rot. Bonds4

About (4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine

(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine (PubChem CID 10853443) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine.

Molecular Properties

Compound Name(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
PubChem CID10853443
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
SMILESc1ccc(CN2CO[C@H]3CN(Cc4ccccc4)CO[C@H]3C2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-7-17(8-4-1)11-21-13-19-20(23-15-21)14-22(16-24-19)12-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m0/s1
InChIKeyDHQXQCWLPNQOPU-PMACEKPBSA-N
XLogP2.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine with MolForge

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Related Compounds

(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245
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CID 13307148
4-benzyl-2-(tetrazolidin-5-yl)morpholine
CID 138059153
(3aS,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 11831337
1-benzyl-1,3-diazetidine
CID 67702530
(1S,5S,8R)-3-benzyl-6-oxa-3-azabicyclo[3.2.1]octan-8-ol
CID 98010122
(1S,5S)-3-benzyl-3,6-diazabicyclo[3.1.1]heptane
CID 98061344
2-benzyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole
CID 72622975
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(4aR,10aR)-2-benzyl-3,4,4a,10a-tetrahydro-1H-[1,4]benzodioxino[3,2-c]pyridine
CID 10378994
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine?
The IUPAC name of (4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine (CID 10853443) is (4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine.
What is the SMILES notation for (4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine?
The canonical SMILES for (4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine is c1ccc(CN2CO[C@H]3CN(Cc4ccccc4)CO[C@H]3C2)cc1.
What is the InChIKey of (4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine?
The InChIKey is DHQXQCWLPNQOPU-PMACEKPBSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-7-17(8-4-1)11-21-13-19-20(23-15-21)14-22(16-24-19)12-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m0/s1.
What are the key properties of (4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine?
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine has a molecular weight of 324.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine is sourced from PubChem (CID 10853443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).