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

C25H26FN3O3 — CID 91912401

IUPAC(3-fluoro-4-methylphenyl)-[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)c4ccc(C)c(F)c4)CC34CCOCC4)o2)cc1
InChIInChI=1S/C25H26FN3O3/c1-16-3-6-18(7-4-16)22-27-28-23(32-22)20-14-29(15-25(20)9-11-31-12-10-25)24(30)19-8-5-17(2)21(26)13-19/h3-8,13,20H,9-12,14-15H2,1-2H3
InChIKeyXSDWUYWQNVJCNC-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.53
Rot. Bonds3

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

(3-fluoro-4-methylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91912401) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91912401
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name(3-fluoro-4-methylphenyl)-[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)c4ccc(C)c(F)c4)CC34CCOCC4)o2)cc1
InChIInChI=1S/C25H26FN3O3/c1-16-3-6-18(7-4-16)22-27-28-23(32-22)20-14-29(15-25(20)9-11-31-12-10-25)24(30)19-8-5-17(2)21(26)13-19/h3-8,13,20H,9-12,14-15H2,1-2H3
InChIKeyXSDWUYWQNVJCNC-UHFFFAOYSA-N
XLogP4.53
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-methylphenyl)-[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
N-(4-fluorobenzyl)-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16187216
4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine
CID 50846308
2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137207
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
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

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91912401) is (3-fluoro-4-methylphenyl)-[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 (3-fluoro-4-methylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[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)c4ccc(C)c(F)c4)CC34CCOCC4)o2)cc1.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is XSDWUYWQNVJCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-16-3-6-18(7-4-16)22-27-28-23(32-22)20-14-29(15-25(20)9-11-31-12-10-25)24(30)19-8-5-17(2)21(26)13-19/h3-8,13,20H,9-12,14-15H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(3-fluoro-4-methylphenyl)-[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 435.50 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[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 91912401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).