N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine

C19H20N2O — CID 21153555

IUPACN,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine
SMILESc1ccc(/N=C2\OC(c3ccccc3)C3CCCCN23)cc1
InChIInChI=1S/C19H20N2O/c1-3-9-15(10-4-1)18-17-13-7-8-14-21(17)19(22-18)20-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/b20-19-
InChIKeySVWHQILSACTTAT-VXPUYCOJSA-N
MW292.38 g/mol
LogP4.30
Rot. Bonds2

About N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine

N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine (PubChem CID 21153555) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine.

Molecular Properties

Compound NameN,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine
PubChem CID21153555
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine
SMILESc1ccc(/N=C2\OC(c3ccccc3)C3CCCCN23)cc1
InChIInChI=1S/C19H20N2O/c1-3-9-15(10-4-1)18-17-13-7-8-14-21(17)19(22-18)20-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/b20-19-
InChIKeySVWHQILSACTTAT-VXPUYCOJSA-N
XLogP4.30
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine with MolForge

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Related Compounds

N-methyl-1-(3-methylphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine
CID 21153560
(1R,8aS)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
CID 3051200
2-cyclohexyl-1-phenylpiperidine
CID 11736671
1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine;hydrobromide
CID 21126912
2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914120
4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid
CID 141171765
3-methyl-2-phenyl-2,3,5,6,7,8,9,9a-octahydro-[1,3]oxazolo[3,2-a]azepine
CID 135070526
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840
1-(2-phenyloxetan-3-yl)pyrrolidin-2-one
CID 100959529
1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
CID 23467197
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069

Frequently Asked Questions

What is the IUPAC name of N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine?
The IUPAC name of N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine (CID 21153555) is N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine.
What is the SMILES notation for N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine?
The canonical SMILES for N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine is c1ccc(/N=C2\OC(c3ccccc3)C3CCCCN23)cc1.
What is the InChIKey of N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine?
The InChIKey is SVWHQILSACTTAT-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-9-15(10-4-1)18-17-13-7-8-14-21(17)19(22-18)20-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/b20-19-.
What are the key properties of N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine?
N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine has a molecular weight of 292.38 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine is sourced from PubChem (CID 21153555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).