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

C20H19ClN2O2 — CID 134789888

IUPAC(4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C20H19ClN2O2/c21-17-8-6-16(7-9-17)19(24)23-12-10-20(11-13-23)14-18(22-25-20)15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyBISCKDDLJLHWDG-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.14
Rot. Bonds2

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

(4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (PubChem CID 134789888) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
PubChem CID134789888
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name(4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C20H19ClN2O2/c21-17-8-6-16(7-9-17)19(24)23-12-10-20(11-13-23)14-18(22-25-20)15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyBISCKDDLJLHWDG-UHFFFAOYSA-N
XLogP4.14
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone 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

1-benzoyl-4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-heptylpiperidine-4-carboxamide
CID 24856188
1-benzoyl-4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
CID 24856204
3-(4-Chlorophenyl)-8-(3-fluorobenzoyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene
CID 91888973
(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-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-(3-Chlorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone
CID 134803493
(2-Fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134803947
N-{[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}-3-fluoro-N-methylbenzamide
CID 42669734
3-(4-Chlorophenyl)-8-(2-fluorobenzoyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene
CID 91888974
(4-Fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134793632

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (CID 134789888) is (4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC(c1ccccc1)=NO2.
What is the InChIKey of (4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The InChIKey is BISCKDDLJLHWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-17-8-6-16(7-9-17)19(24)23-12-10-20(11-13-23)14-18(22-25-20)15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of (4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
(4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone has a molecular weight of 354.84 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is sourced from PubChem (CID 134789888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).