5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane

C18H19NO — CID 167092209

IUPAC5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane
SMILESCC1OC12CN(C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C18H19NO/c1-14-18(20-14)12-19(13-18)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChIKeyPOXQYOIGODGKSJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.25
Rot. Bonds3

About 5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane

5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane (PubChem CID 167092209) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane
PubChem CID167092209
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane
SMILESCC1OC12CN(C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C18H19NO/c1-14-18(20-14)12-19(13-18)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChIKeyPOXQYOIGODGKSJ-UHFFFAOYSA-N
XLogP3.25
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane?
The IUPAC name of 5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane (CID 167092209) is 5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane.
What is the SMILES notation for 5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane?
The canonical SMILES for 5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane is CC1OC12CN(C(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of 5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane?
The InChIKey is POXQYOIGODGKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-18(20-14)12-19(13-18)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3.
What are the key properties of 5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane?
5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane has a molecular weight of 265.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane is sourced from PubChem (CID 167092209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).