3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

C21H21F2N3O2 — CID 78845832

IUPAC3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESFC(F)Oc1ccccc1-c1noc(CN2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C21H21F2N3O2/c22-21(23)27-18-9-5-4-8-17(18)20-24-19(28-25-20)14-26-12-10-16(11-13-26)15-6-2-1-3-7-15/h1-9,16,21H,10-14H2
InChIKeyVZOIZCXYAIERQZ-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.72
Rot. Bonds6

About 3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 78845832) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID78845832
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESFC(F)Oc1ccccc1-c1noc(CN2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C21H21F2N3O2/c22-21(23)27-18-9-5-4-8-17(18)20-24-19(28-25-20)14-26-12-10-16(11-13-26)15-6-2-1-3-7-15/h1-9,16,21H,10-14H2
InChIKeyVZOIZCXYAIERQZ-UHFFFAOYSA-N
XLogP4.72
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 78815383
3-[2-(difluoromethoxy)phenyl]-5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807785
2-[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 78807327
1-[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone
CID 78879613
3-[2-(difluoromethoxy)phenyl]-5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807787
[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 78857530
3-[2-(difluoromethoxy)phenyl]-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807404
3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773367
[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 78898971
3-[2-(difluoromethoxy)phenyl]-5-[[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 78898930
3-[2-(difluoromethoxy)phenyl]-5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 78815482
3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72939419

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 78845832) is 3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is FC(F)Oc1ccccc1-c1noc(CN2CCC(c3ccccc3)CC2)n1.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is VZOIZCXYAIERQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c22-21(23)27-18-9-5-4-8-17(18)20-24-19(28-25-20)14-26-12-10-16(11-13-26)15-6-2-1-3-7-15/h1-9,16,21H,10-14H2.
What are the key properties of 3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 385.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 78845832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).