5-azido-2-benzhydryloxane

C18H19N3O — CID 73009162

IUPAC5-azido-2-benzhydryloxane
SMILES[N-]=[N+]=NC1CCC(C(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C18H19N3O/c19-21-20-16-11-12-17(22-13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2
InChIKeyKPEUKFKMSKJSSD-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.68
Rot. Bonds4

About 5-azido-2-benzhydryloxane

5-azido-2-benzhydryloxane (PubChem CID 73009162) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-azido-2-benzhydryloxane.

Molecular Properties

Compound Name5-azido-2-benzhydryloxane
PubChem CID73009162
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-azido-2-benzhydryloxane
SMILES[N-]=[N+]=NC1CCC(C(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C18H19N3O/c19-21-20-16-11-12-17(22-13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2
InChIKeyKPEUKFKMSKJSSD-UHFFFAOYSA-N
XLogP4.68
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.68
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 5-azido-2-benzhydryloxane?
The IUPAC name of 5-azido-2-benzhydryloxane (CID 73009162) is 5-azido-2-benzhydryloxane.
What is the SMILES notation for 5-azido-2-benzhydryloxane?
The canonical SMILES for 5-azido-2-benzhydryloxane is [N-]=[N+]=NC1CCC(C(c2ccccc2)c2ccccc2)OC1.
What is the InChIKey of 5-azido-2-benzhydryloxane?
The InChIKey is KPEUKFKMSKJSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c19-21-20-16-11-12-17(22-13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2.
What are the key properties of 5-azido-2-benzhydryloxane?
5-azido-2-benzhydryloxane has a molecular weight of 293.37 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-benzhydryloxane is sourced from PubChem (CID 73009162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).