1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane

C22H19NO3 — CID 101259220

IUPAC1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane
SMILESc1ccc(N2CCOC3(c4ccccc4)OOC23c2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-4-10-18(11-5-1)21-22(26-25-21,19-12-6-2-7-13-19)24-17-16-23(21)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyYMLDGJYOUQEZKX-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.19
Rot. Bonds3

About 1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane

1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane (PubChem CID 101259220) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane.

Molecular Properties

Compound Name1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane
PubChem CID101259220
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane
SMILESc1ccc(N2CCOC3(c4ccccc4)OOC23c2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-4-10-18(11-5-1)21-22(26-25-21,19-12-6-2-7-13-19)24-17-16-23(21)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyYMLDGJYOUQEZKX-UHFFFAOYSA-N
XLogP4.19
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole
CID 102153614
3-phenyl-1,3-oxazolidine
CID 519787
(5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 165351417
2,2-diphenylmorpholine-4-carboxylic acid
CID 57298825
7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 23178311
4-methyl-1,7-diphenyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 101198418
2,2-dimethyl-4-phenylmorpholine
CID 15576765
2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 12934420
2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 67798997
3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine]
CID 53356497
1-phenyl-2-oxabicyclo[4.1.0]heptane
CID 154332997
2-phenyl-1,3-dioxolane-2-carbaldehyde
CID 11686994

Frequently Asked Questions

What is the IUPAC name of 1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane?
The IUPAC name of 1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane (CID 101259220) is 1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane.
What is the SMILES notation for 1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane?
The canonical SMILES for 1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane is c1ccc(N2CCOC3(c4ccccc4)OOC23c2ccccc2)cc1.
What is the InChIKey of 1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane?
The InChIKey is YMLDGJYOUQEZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-4-10-18(11-5-1)21-22(26-25-21,19-12-6-2-7-13-19)24-17-16-23(21)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane?
1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane has a molecular weight of 345.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane is sourced from PubChem (CID 101259220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).