phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone

C20H20N2O2 — CID 134790694

IUPACphenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC2(CC(c3ccccc3)=NO2)C1
InChIInChI=1S/C20H20N2O2/c23-19(17-10-5-2-6-11-17)22-13-7-12-20(15-22)14-18(21-24-20)16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2
InChIKeyCTWCVQYFXWEGGZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.49
Rot. Bonds2

About phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone

phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone (PubChem CID 134790694) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
PubChem CID134790694
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Namephenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC2(CC(c3ccccc3)=NO2)C1
InChIInChI=1S/C20H20N2O2/c23-19(17-10-5-2-6-11-17)22-13-7-12-20(15-22)14-18(21-24-20)16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2
InChIKeyCTWCVQYFXWEGGZ-UHFFFAOYSA-N
XLogP3.49
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Benzylpiperazin-1-yl)[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 5309483
1-benzoyl-N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 25163917
Biphenyl-4,4'-diylbis((3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone) (6f)
CID 118796579
Phenyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone
CID 134788212
2-Phenyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]ethanone
CID 134789218
1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 25102401
(4-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134791614
[4-(Trifluoromethyl)phenyl]-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134793533
2-Phenyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone
CID 134800806
(2-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134800960
(2-Fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134803947
(4-Benzylpiperazin-1-yl)[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 17095803

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone?
The IUPAC name of phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone (CID 134790694) is phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone.
What is the SMILES notation for phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone?
The canonical SMILES for phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone is O=C(c1ccccc1)N1CCCC2(CC(c3ccccc3)=NO2)C1.
What is the InChIKey of phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone?
The InChIKey is CTWCVQYFXWEGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19(17-10-5-2-6-11-17)22-13-7-12-20(15-22)14-18(21-24-20)16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2.
What are the key properties of phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone?
phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone is sourced from PubChem (CID 134790694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).