[4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone

C19H16ClFN4O2 — CID 42536958

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone
SMILESO=C(c1nc(-c2ccc(F)cc2)no1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H16ClFN4O2/c20-14-3-7-16(8-4-14)24-9-11-25(12-10-24)19(26)18-22-17(23-27-18)13-1-5-15(21)6-2-13/h1-8H,9-12H2
InChIKeyRYWGSIIOHXKGDL-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.49
Rot. Bonds3

About [4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone

[4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone (PubChem CID 42536958) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone
PubChem CID42536958
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone
SMILESO=C(c1nc(-c2ccc(F)cc2)no1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H16ClFN4O2/c20-14-3-7-16(8-4-14)24-9-11-25(12-10-24)19(26)18-22-17(23-27-18)13-1-5-15(21)6-2-13/h1-8H,9-12H2
InChIKeyRYWGSIIOHXKGDL-UHFFFAOYSA-N
XLogP3.49
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[4-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827967
[3-[4-(azepan-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 50827918
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 50828762
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50767501
N'-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111814916
(4-methylphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827747
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
CID 71511351
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 50828707
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 26721215
3-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015572
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone (CID 42536958) is [4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone is O=C(c1nc(-c2ccc(F)cc2)no1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone?
The InChIKey is RYWGSIIOHXKGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c20-14-3-7-16(8-4-14)24-9-11-25(12-10-24)19(26)18-22-17(23-27-18)13-1-5-15(21)6-2-13/h1-8H,9-12H2.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone has a molecular weight of 386.81 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone is sourced from PubChem (CID 42536958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).