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

C26H24ClFN4O2 — CID 15990068

IUPAC2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCOc1ccccc1N1CCN(C(c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)CC1
InChIInChI=1S/C26H24ClFN4O2/c1-33-23-8-3-2-7-22(23)31-13-15-32(16-14-31)24(18-9-11-20(27)12-10-18)26-30-29-25(34-26)19-5-4-6-21(28)17-19/h2-12,17,24H,13-16H2,1H3
InChIKeyDDPHSKFUSLMYGE-UHFFFAOYSA-N
MW478.96 g/mol
LogP5.45
Rot. Bonds6

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

2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 15990068) has the molecular formula C26H24ClFN4O2 and a molecular weight of 478.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID15990068
Molecular FormulaC26H24ClFN4O2
Molecular Weight478.96 g/mol
Exact Mass478.16
IUPAC Name2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCOc1ccccc1N1CCN(C(c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)CC1
InChIInChI=1S/C26H24ClFN4O2/c1-33-23-8-3-2-7-22(23)31-13-15-32(16-14-31)24(18-9-11-20(27)12-10-18)26-30-29-25(34-26)19-5-4-6-21(28)17-19/h2-12,17,24H,13-16H2,1H3
InChIKeyDDPHSKFUSLMYGE-UHFFFAOYSA-N
XLogP5.45
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.96
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 2147287
4-Chloro-N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-YL](phenyl)methyl}-2-methoxy-5-methylaniline
CID 15990036
1-(3-Chlorophenyl)-4-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 16026363
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24981755
(3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
CID 51351496
(5-(4-chlorophenyl)-1-methyl-1H-pyrazol-3-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
CID 51351504
(3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-(3-fluorobenzyloxy)phenyl)piperazin-1-yl)methanone
CID 54582966
N-[(4-Chlorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-YL]methyl]-4-ethoxyaniline
CID 15990097
2-(2-Chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 15990280
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2559931
5-[(2-Chloro-6-fluorophenyl)methyl]-N-{3-[4-(2-methoxyphenyl)piperazin-1-YL]propyl}-1,3,4-oxadiazole-2-carboxamide
CID 15989884
1-(5-Chloro-2-methylphenyl)-4-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 15990008

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 15990068) is 2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is COc1ccccc1N1CCN(C(c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)CC1.
What is the InChIKey of 2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is DDPHSKFUSLMYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O2/c1-33-23-8-3-2-7-22(23)31-13-15-32(16-14-31)24(18-9-11-20(27)12-10-18)26-30-29-25(34-26)19-5-4-6-21(28)17-19/h2-12,17,24H,13-16H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 478.96 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 15990068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).