2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole

C22H25ClN4O — CID 8596494

IUPAC2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1ccccc1CN1CCN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C22H25ClN4O/c1-16-6-3-4-7-19(16)15-26-10-12-27(13-11-26)17(2)21-24-25-22(28-21)18-8-5-9-20(23)14-18/h3-9,14,17H,10-13,15H2,1-2H3/t17-/m1/s1
InChIKeyKCIBGMYVALNJGT-QGZVFWFLSA-N
MW396.92 g/mol
LogP4.58
Rot. Bonds5

About 2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole

2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 8596494) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID8596494
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1ccccc1CN1CCN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C22H25ClN4O/c1-16-6-3-4-7-19(16)15-26-10-12-27(13-11-26)17(2)21-24-25-22(28-21)18-8-5-9-20(23)14-18/h3-9,14,17H,10-13,15H2,1-2H3/t17-/m1/s1
InChIKeyKCIBGMYVALNJGT-QGZVFWFLSA-N
XLogP4.58
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-5-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308998
2-(3-chlorophenyl)-5-[(1R)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308994
2-(3-chlorophenyl)-5-[1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 46595701
2-(3-chlorophenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 8620018
2-(3-chlorophenyl)-5-[1-(4-pentylsulfonylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 86936903
2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 30637072
2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 51225270
(2R,6S)-4-[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,6-dimethylmorpholine
CID 29241115
2-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 86885580
4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine
CID 51294713
2-[(1S)-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 51620116

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (CID 8596494) is 2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is Cc1ccccc1CN1CCN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is KCIBGMYVALNJGT-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-16-6-3-4-7-19(16)15-26-10-12-27(13-11-26)17(2)21-24-25-22(28-21)18-8-5-9-20(23)14-18/h3-9,14,17H,10-13,15H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 396.92 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 8596494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).