5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane

C18H19NO — CID 10084223

IUPAC5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane
SMILESCN1OC2(CC2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO/c1-19-18(14-17(20-19)12-13-17,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyBAYYJNRAQBRJBZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.73
Rot. Bonds2

About 5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane

5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane (PubChem CID 10084223) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane
PubChem CID10084223
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane
SMILESCN1OC2(CC2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO/c1-19-18(14-17(20-19)12-13-17,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyBAYYJNRAQBRJBZ-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 4367643
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758
5-Methyl-6-phenyl-4-oxa-5-azaspiro[2.4]heptane
CID 13585889
(3S,4S)-3-phenyl-4-phenylselanyl-2-propan-2-yl-1,2-oxazolidine
CID 15758443
(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 15758445
(3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile
CID 11065779
2-benzyl-3-tert-butyl-5-(2-phenylethyl)-3H-1,2-oxazole
CID 11404465
2,3-Dimethyl-3,5-diphenyl-2,3-dihydro-1,2-oxazole
CID 12327015
2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole
CID 102461682
2-benzyl-5-hexyl-3-phenyl-3H-1,2-oxazole
CID 132517316

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane?
The IUPAC name of 5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane (CID 10084223) is 5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane.
What is the SMILES notation for 5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane?
The canonical SMILES for 5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane is CN1OC2(CC2)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane?
The InChIKey is BAYYJNRAQBRJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-19-18(14-17(20-19)12-13-17,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3.
What are the key properties of 5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane?
5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane has a molecular weight of 265.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane is sourced from PubChem (CID 10084223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).