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

C24H23F2N3O3 — CID 91912488

IUPAC(2,4-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)c4ccc(F)cc4F)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)18-7-6-17(25)12-20(18)26/h2-7,12,19H,8-11,13-14H2,1H3
InChIKeyGEIIXTQTCZFVCK-UHFFFAOYSA-N
MW439.46 g/mol
LogP4.36
Rot. Bonds3

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

(2,4-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91912488) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is (2,4-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(2,4-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91912488
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC Name(2,4-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)c4ccc(F)cc4F)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)18-7-6-17(25)12-20(18)26/h2-7,12,19H,8-11,13-14H2,1H3
InChIKeyGEIIXTQTCZFVCK-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 (2,4-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-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

Frequently Asked Questions

What is the IUPAC name of (2,4-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 (2,4-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91912488) is (2,4-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 (2,4-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 (2,4-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)c4ccc(F)cc4F)CC34CCOCC4)o2)cc1.
What is the InChIKey of (2,4-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is GEIIXTQTCZFVCK-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)18-7-6-17(25)12-20(18)26/h2-7,12,19H,8-11,13-14H2,1H3.
What are the key properties of (2,4-difluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(2,4-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 (2,4-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 91912488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).