[2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone

C22H22F2N4O3 — CID 78845953

IUPAC[2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cccc(-c2nnc(CN3CCN(C(=O)c4ccccc4OC(F)F)CC3)o2)c1
InChIInChI=1S/C22H22F2N4O3/c1-15-5-4-6-16(13-15)20-26-25-19(31-20)14-27-9-11-28(12-10-27)21(29)17-7-2-3-8-18(17)30-22(23)24/h2-8,13,22H,9-12,14H2,1H3
InChIKeyVYSTXGPFMJHHHX-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.60
Rot. Bonds6

About [2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone

[2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 78845953) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID78845953
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC Name[2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cccc(-c2nnc(CN3CCN(C(=O)c4ccccc4OC(F)F)CC3)o2)c1
InChIInChI=1S/C22H22F2N4O3/c1-15-5-4-6-16(13-15)20-26-25-19(31-20)14-27-9-11-28(12-10-27)21(29)17-7-2-3-8-18(17)30-22(23)24/h2-8,13,22H,9-12,14H2,1H3
InChIKeyVYSTXGPFMJHHHX-UHFFFAOYSA-N
XLogP3.60
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-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

Related Compounds

(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395665
[2-(difluoromethoxy)phenyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55544136
2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8997319
3-[[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile
CID 37450241
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407
2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 78826415
[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 78898971
(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 33218328
2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 71901584
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 19290962
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 19329376
1-[4-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 78818485

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone (CID 78845953) is [2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone is Cc1cccc(-c2nnc(CN3CCN(C(=O)c4ccccc4OC(F)F)CC3)o2)c1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is VYSTXGPFMJHHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-15-5-4-6-16(13-15)20-26-25-19(31-20)14-27-9-11-28(12-10-27)21(29)17-7-2-3-8-18(17)30-22(23)24/h2-8,13,22H,9-12,14H2,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
[2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 428.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 78845953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).