2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

C26H22ClF3N4O — CID 20944843

IUPAC2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(N2CCN(C(c3ccccc3)c3nnc(-c4ccccc4Cl)o3)CC2)c1
InChIInChI=1S/C26H22ClF3N4O/c27-22-12-5-4-11-21(22)24-31-32-25(35-24)23(18-7-2-1-3-8-18)34-15-13-33(14-16-34)20-10-6-9-19(17-20)26(28,29)30/h1-12,17,23H,13-16H2
InChIKeyWTBKOXCDAQQCGN-UHFFFAOYSA-N
MW498.94 g/mol
LogP6.32
Rot. Bonds5

About 2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 20944843) has the molecular formula C26H22ClF3N4O and a molecular weight of 498.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID20944843
Molecular FormulaC26H22ClF3N4O
Molecular Weight498.94 g/mol
Exact Mass498.14
IUPAC Name2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(N2CCN(C(c3ccccc3)c3nnc(-c4ccccc4Cl)o3)CC2)c1
InChIInChI=1S/C26H22ClF3N4O/c27-22-12-5-4-11-21(22)24-31-32-25(35-24)23(18-7-2-1-3-8-18)34-15-13-33(14-16-34)20-10-6-9-19(17-20)26(28,29)30/h1-12,17,23H,13-16H2
InChIKeyWTBKOXCDAQQCGN-UHFFFAOYSA-N
XLogP6.32
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.94
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 22432872
2-[(S)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 92656860
2-(2-chlorophenyl)-5-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-(4-fluorophenyl)methyl]-1,3,4-oxadiazole;hydrochloride
CID 146051667
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1375701
2-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92707823
2-[(S)-[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92707824
1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 46832362
2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole
CID 92724535
2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline
CID 46085043
3-chloro-N-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylaniline
CID 40646118
1-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3193439
2-[(S)-(4-bromophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 92719971

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 20944843) is 2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is FC(F)(F)c1cccc(N2CCN(C(c3ccccc3)c3nnc(-c4ccccc4Cl)o3)CC2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is WTBKOXCDAQQCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N4O/c27-22-12-5-4-11-21(22)24-31-32-25(35-24)23(18-7-2-1-3-8-18)34-15-13-33(14-16-34)20-10-6-9-19(17-20)26(28,29)30/h1-12,17,23H,13-16H2.
What are the key properties of 2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 498.94 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 20944843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).