(2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane

C17H17NO — CID 704394

IUPAC(2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
SMILESc1ccc([C@H]2CC3C[C@@H](c4ccccc4)N2O3)cc1
InChIInChI=1S/C17H17NO/c1-3-7-13(8-4-1)16-11-15-12-17(18(16)19-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15?,16-,17+
InChIKeyNHBSPOPJKZNDFC-ALOPSCKCSA-N
MW251.33 g/mol
LogP3.88
Rot. Bonds2

About (2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane

(2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane (PubChem CID 704394) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
PubChem CID704394
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
SMILESc1ccc([C@H]2CC3C[C@@H](c4ccccc4)N2O3)cc1
InChIInChI=1S/C17H17NO/c1-3-7-13(8-4-1)16-11-15-12-17(18(16)19-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15?,16-,17+
InChIKeyNHBSPOPJKZNDFC-ALOPSCKCSA-N
XLogP3.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane?
The IUPAC name of (2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane (CID 704394) is (2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for (2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane is c1ccc([C@H]2CC3C[C@@H](c4ccccc4)N2O3)cc1.
What is the InChIKey of (2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane?
The InChIKey is NHBSPOPJKZNDFC-ALOPSCKCSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-7-13(8-4-1)16-11-15-12-17(18(16)19-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15?,16-,17+.
What are the key properties of (2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane?
(2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane has a molecular weight of 251.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 704394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).