2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

C21H23FN4O — CID 22432453

IUPAC2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCc1ccc(C)c(N2CCN(Cc3nnc(-c4ccccc4F)o3)CC2)c1
InChIInChI=1S/C21H23FN4O/c1-15-7-8-16(2)19(13-15)26-11-9-25(10-12-26)14-20-23-24-21(27-20)17-5-3-4-6-18(17)22/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLGYVIAUPWXAZEZ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.81
Rot. Bonds4

About 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 22432453) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID22432453
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCc1ccc(C)c(N2CCN(Cc3nnc(-c4ccccc4F)o3)CC2)c1
InChIInChI=1S/C21H23FN4O/c1-15-7-8-16(2)19(13-15)26-11-9-25(10-12-26)14-20-23-24-21(27-20)17-5-3-4-6-18(17)22/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLGYVIAUPWXAZEZ-UHFFFAOYSA-N
XLogP3.81
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 33177843
2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 18088347
2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17409652
2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 8591039
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990244
2-(2-bromophenyl)-5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 46614404
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
2-(4-fluorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17391401
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110333844
2-(2-chlorophenyl)-5-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-(4-fluorophenyl)methyl]-1,3,4-oxadiazole;hydrochloride
CID 146051667
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 71995626
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11738728

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 22432453) is 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is Cc1ccc(C)c(N2CCN(Cc3nnc(-c4ccccc4F)o3)CC2)c1.
What is the InChIKey of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is LGYVIAUPWXAZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-15-7-8-16(2)19(13-15)26-11-9-25(10-12-26)14-20-23-24-21(27-20)17-5-3-4-6-18(17)22/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 366.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 22432453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).