2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole

C25H22ClFN4O — CID 92724535

IUPAC2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole
SMILESFc1ccccc1N1CCN([C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C25H22ClFN4O/c26-20-12-10-19(11-13-20)24-28-29-25(32-24)23(18-6-2-1-3-7-18)31-16-14-30(15-17-31)22-9-5-4-8-21(22)27/h1-13,23H,14-17H2/t23-/m1/s1
InChIKeyCUUGDCDPPHHIKA-HSZRJFAPSA-N
MW448.93 g/mol
LogP5.44
Rot. Bonds5

About 2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole (PubChem CID 92724535) has the molecular formula C25H22ClFN4O and a molecular weight of 448.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole
PubChem CID92724535
Molecular FormulaC25H22ClFN4O
Molecular Weight448.93 g/mol
Exact Mass448.15
IUPAC Name2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole
SMILESFc1ccccc1N1CCN([C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C25H22ClFN4O/c26-20-12-10-19(11-13-20)24-28-29-25(32-24)23(18-6-2-1-3-7-18)31-16-14-30(15-17-31)22-9-5-4-8-21(22)27/h1-13,23H,14-17H2/t23-/m1/s1
InChIKeyCUUGDCDPPHHIKA-HSZRJFAPSA-N
XLogP5.44
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.93
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 40939270
2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole
CID 92724533
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
2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 20944444
2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 46249026
2-[(S)-(4-bromophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 92719971
2-[(R)-(4-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 92734451
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-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92893066
1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine
CID 1446149

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole (CID 92724535) is 2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole is Fc1ccccc1N1CCN([C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole?
The InChIKey is CUUGDCDPPHHIKA-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H22ClFN4O/c26-20-12-10-19(11-13-20)24-28-29-25(32-24)23(18-6-2-1-3-7-18)31-16-14-30(15-17-31)22-9-5-4-8-21(22)27/h1-13,23H,14-17H2/t23-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole has a molecular weight of 448.93 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 92724535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).