(2S,6R)-4-azido-2,6-diphenyloxane

C17H17N3O — CID 101430483

IUPAC(2S,6R)-4-azido-2,6-diphenyloxane
SMILES[N-]=[N+]=NC1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H17N3O/c18-20-19-15-11-16(13-7-3-1-4-8-13)21-17(12-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15?,16-,17+
InChIKeyBSULJHUIRXQOLS-ALOPSCKCSA-N
MW279.34 g/mol
LogP4.96
Rot. Bonds3

About (2S,6R)-4-azido-2,6-diphenyloxane

(2S,6R)-4-azido-2,6-diphenyloxane (PubChem CID 101430483) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S,6R)-4-azido-2,6-diphenyloxane.

Molecular Properties

Compound Name(2S,6R)-4-azido-2,6-diphenyloxane
PubChem CID101430483
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(2S,6R)-4-azido-2,6-diphenyloxane
SMILES[N-]=[N+]=NC1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H17N3O/c18-20-19-15-11-16(13-7-3-1-4-8-13)21-17(12-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15?,16-,17+
InChIKeyBSULJHUIRXQOLS-ALOPSCKCSA-N
XLogP4.96
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-azido-2,6-diphenyloxane?
The IUPAC name of (2S,6R)-4-azido-2,6-diphenyloxane (CID 101430483) is (2S,6R)-4-azido-2,6-diphenyloxane.
What is the SMILES notation for (2S,6R)-4-azido-2,6-diphenyloxane?
The canonical SMILES for (2S,6R)-4-azido-2,6-diphenyloxane is [N-]=[N+]=NC1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S,6R)-4-azido-2,6-diphenyloxane?
The InChIKey is BSULJHUIRXQOLS-ALOPSCKCSA-N. The full InChI is InChI=1S/C17H17N3O/c18-20-19-15-11-16(13-7-3-1-4-8-13)21-17(12-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15?,16-,17+.
What are the key properties of (2S,6R)-4-azido-2,6-diphenyloxane?
(2S,6R)-4-azido-2,6-diphenyloxane has a molecular weight of 279.34 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-azido-2,6-diphenyloxane is sourced from PubChem (CID 101430483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).