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

C19H17FN4O2 — CID 83278858

IUPAC[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1noc(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H17FN4O2/c20-15-8-6-14(7-9-15)18-21-17(22-26-18)19(25)24-12-10-23(11-13-24)16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKeyDKQREFUGNOERBD-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.84
Rot. Bonds3

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

[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 83278858) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID83278858
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1noc(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H17FN4O2/c20-15-8-6-14(7-9-15)18-21-17(22-26-18)19(25)24-12-10-23(11-13-24)16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKeyDKQREFUGNOERBD-UHFFFAOYSA-N
XLogP2.84
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 83278858) is [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1noc(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is DKQREFUGNOERBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-8-6-14(7-9-15)18-21-17(22-26-18)19(25)24-12-10-23(11-13-24)16-4-2-1-3-5-16/h1-9H,10-13H2.
What are the key properties of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 352.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 83278858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).