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

C19H16ClFN4O2 — CID 22581265

IUPAC[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C19H16ClFN4O2/c20-14-7-5-13(6-8-14)17-22-19(27-23-17)25-11-9-24(10-12-25)18(26)15-3-1-2-4-16(15)21/h1-8H,9-12H2
InChIKeyQWEQKCHFOXBKEW-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.49
Rot. Bonds3

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

[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 22581265) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID22581265
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C19H16ClFN4O2/c20-14-7-5-13(6-8-14)17-22-19(27-23-17)25-11-9-24(10-12-25)18(26)15-3-1-2-4-16(15)21/h1-8H,9-12H2
InChIKeyQWEQKCHFOXBKEW-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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Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone (CID 22581265) is [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is QWEQKCHFOXBKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c20-14-7-5-13(6-8-14)17-22-19(27-23-17)25-11-9-24(10-12-25)18(26)15-3-1-2-4-16(15)21/h1-8H,9-12H2.
What are the key properties of [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)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-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 22581265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).