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

C25H26FN3O3 — CID 91924646

IUPAC2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESCc1ccc(-c2nnc(C3CN(C(=O)Cc4ccc(F)cc4)CC34CCOCC4)o2)cc1
InChIInChI=1S/C25H26FN3O3/c1-17-2-6-19(7-3-17)23-27-28-24(32-23)21-15-29(16-25(21)10-12-31-13-11-25)22(30)14-18-4-8-20(26)9-5-18/h2-9,21H,10-16H2,1H3
InChIKeyWGMQZSVRDPRFPT-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.15
Rot. Bonds4

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

2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91924646) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID91924646
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESCc1ccc(-c2nnc(C3CN(C(=O)Cc4ccc(F)cc4)CC34CCOCC4)o2)cc1
InChIInChI=1S/C25H26FN3O3/c1-17-2-6-19(7-3-17)23-27-28-24(32-23)21-15-29(16-25(21)10-12-31-13-11-25)22(30)14-18-4-8-20(26)9-5-18/h2-9,21H,10-16H2,1H3
InChIKeyWGMQZSVRDPRFPT-UHFFFAOYSA-N
XLogP4.15
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (CID 91924646) is 2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is Cc1ccc(-c2nnc(C3CN(C(=O)Cc4ccc(F)cc4)CC34CCOCC4)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is WGMQZSVRDPRFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-17-2-6-19(7-3-17)23-27-28-24(32-23)21-15-29(16-25(21)10-12-31-13-11-25)22(30)14-18-4-8-20(26)9-5-18/h2-9,21H,10-16H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 435.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91924646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).