1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol

C15H17F2N3O3 — CID 78815383

IUPAC1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2nc(-c3ccccc3OC(F)F)no2)CC1
InChIInChI=1S/C15H17F2N3O3/c16-15(17)22-12-4-2-1-3-11(12)14-18-13(23-19-14)9-20-7-5-10(21)6-8-20/h1-4,10,15,21H,5-9H2
InChIKeyXLDBBCUDIVBTDH-UHFFFAOYSA-N
MW325.31 g/mol
LogP2.29
Rot. Bonds5

About 1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol

1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol (PubChem CID 78815383) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.31 g/mol. Its IUPAC name is 1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
PubChem CID78815383
Molecular FormulaC15H17F2N3O3
Molecular Weight325.31 g/mol
Exact Mass325.12
IUPAC Name1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2nc(-c3ccccc3OC(F)F)no2)CC1
InChIInChI=1S/C15H17F2N3O3/c16-15(17)22-12-4-2-1-3-11(12)14-18-13(23-19-14)9-20-7-5-10(21)6-8-20/h1-4,10,15,21H,5-9H2
InChIKeyXLDBBCUDIVBTDH-UHFFFAOYSA-N
XLogP2.29
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 78845832
2-[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 78807327
3-[2-(difluoromethoxy)phenyl]-5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807787
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-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807785
[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
[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 78898971
1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 156787032
3-[2-(difluoromethoxy)phenyl]-5-[[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 78898930
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 26518855
3-[2-(difluoromethoxy)phenyl]-5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 78815482

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol (CID 78815383) is 1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol is OC1CCN(Cc2nc(-c3ccccc3OC(F)F)no2)CC1.
What is the InChIKey of 1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is XLDBBCUDIVBTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c16-15(17)22-12-4-2-1-3-11(12)14-18-13(23-19-14)9-20-7-5-10(21)6-8-20/h1-4,10,15,21H,5-9H2.
What are the key properties of 1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 325.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 78815383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).