(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone

C21H21FN2O2 — CID 134794393

IUPAC(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)CC(Cc1ccccc1)=NO2
InChIInChI=1S/C21H21FN2O2/c22-18-8-6-17(7-9-18)20(25)24-12-10-21(11-13-24)15-19(23-26-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyJDYYJLZOWWPYSD-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.82
Rot. Bonds3

About (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone

(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone (PubChem CID 134794393) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone
PubChem CID134794393
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)CC(Cc1ccccc1)=NO2
InChIInChI=1S/C21H21FN2O2/c22-18-8-6-17(7-9-18)20(25)24-12-10-21(11-13-24)15-19(23-26-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyJDYYJLZOWWPYSD-UHFFFAOYSA-N
XLogP3.82
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Biphenyl-4,4'-diylbis((3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone) (6g)
CID 118796580
Biphenyl-4,4'-diylbis((3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone) (6h)
CID 118796581
Phenyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone
CID 134788212
9-Benzoyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919146
(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
(4-Chlorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134803050
2-(4-Fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone
CID 134803142
(2-Fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134803947
2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 24715344

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone (CID 134794393) is (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC2(CC1)CC(Cc1ccccc1)=NO2.
What is the InChIKey of (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone?
The InChIKey is JDYYJLZOWWPYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-18-8-6-17(7-9-18)20(25)24-12-10-21(11-13-24)15-19(23-26-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone?
(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone has a molecular weight of 352.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 134794393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).