3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one

C22H25FN4O2 — CID 155560722

IUPAC3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1CCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN4O2/c23-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-4-5-13-27-22(28)29-21(24-27)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-17H2
InChIKeyIOAXVKXNLDSFFC-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.24
Rot. Bonds7

About 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one

3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 155560722) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
PubChem CID155560722
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1CCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN4O2/c23-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-4-5-13-27-22(28)29-21(24-27)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-17H2
InChIKeyIOAXVKXNLDSFFC-UHFFFAOYSA-N
XLogP3.24
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 46881926
CID 46881926
CID 12412581
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CID 9879254
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CID 17488119
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CID 17488468
CID 17488468
CID 17511501
CID 17511501
CID 53180395
CID 53180395
CID 53180520
CID 53180520
CID 90816442
CID 90816442
CID 129885395
CID 129885395
CID 134966944
CID 134966944
CID 17434854
CID 17434854

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one (CID 155560722) is 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccccc2)nn1CCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is IOAXVKXNLDSFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-4-5-13-27-22(28)29-21(24-27)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-17H2.
What are the key properties of 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one?
3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 396.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 155560722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).