(2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C24H23F2N3O3 — CID 91912489

IUPAC(2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(-c2nnc(C3CN(C(=O)c4cc(F)ccc4F)CC34CCOCC4)o2)cc1
InChIInChI=1S/C24H23F2N3O3/c1-15-2-4-16(5-3-15)21-27-28-22(32-21)19-13-29(14-24(19)8-10-31-11-9-24)23(30)18-12-17(25)6-7-20(18)26/h2-7,12,19H,8-11,13-14H2,1H3
InChIKeyQJDJVHUTFUNSMI-UHFFFAOYSA-N
MW439.46 g/mol
LogP4.36
Rot. Bonds3

About (2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91912489) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91912489
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC Name(2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(-c2nnc(C3CN(C(=O)c4cc(F)ccc4F)CC34CCOCC4)o2)cc1
InChIInChI=1S/C24H23F2N3O3/c1-15-2-4-16(5-3-15)21-27-28-22(32-21)19-13-29(14-24(19)8-10-31-11-9-24)23(30)18-12-17(25)6-7-20(18)26/h2-7,12,19H,8-11,13-14H2,1H3
InChIKeyQJDJVHUTFUNSMI-UHFFFAOYSA-N
XLogP4.36
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone with MolForge

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Related Compounds

N-methyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-N-tetrahydropyran-4-yl-propionamide
CID 24791821
4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine
CID 50846308
2-(2-fluorophenyl)-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137665
2-(3-Fluorobenzoyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
CID 91912485
(2,4-Difluorophenyl)(4-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 44062099
(4-(5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 44062107
1-(3-Fluoro-4-methylbenzoyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine
CID 50835025
1-(4-Fluorobenzoyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine
CID 50835169
(3-Fluorophenyl)[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidino]methanone
CID 50835366
2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137220
2-phenyl-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137223
2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 51137645

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91912489) is (2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is Cc1ccc(-c2nnc(C3CN(C(=O)c4cc(F)ccc4F)CC34CCOCC4)o2)cc1.
What is the InChIKey of (2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is QJDJVHUTFUNSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-15-2-4-16(5-3-15)21-27-28-22(32-21)19-13-29(14-24(19)8-10-31-11-9-24)23(30)18-12-17(25)6-7-20(18)26/h2-7,12,19H,8-11,13-14H2,1H3.
What are the key properties of (2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 439.46 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91912489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).