5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one

C19H18FN5O3 — CID 9255444

IUPAC5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H18FN5O3/c20-15-3-1-14(2-4-15)18-22-25(19(27)28-18)13-17(26)24-11-9-23(10-12-24)16-5-7-21-8-6-16/h1-8H,9-13H2
InChIKeyITLFYOYSSJKFCR-UHFFFAOYSA-N
MW383.38 g/mol
LogP1.39
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one (PubChem CID 9255444) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one
PubChem CID9255444
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H18FN5O3/c20-15-3-1-14(2-4-15)18-22-25(19(27)28-18)13-17(26)24-11-9-23(10-12-24)16-5-7-21-8-6-16/h1-8H,9-13H2
InChIKeyITLFYOYSSJKFCR-UHFFFAOYSA-N
XLogP1.39
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 9271136
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 9303406
3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 46448814
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one
CID 46638792
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
CID 71577680
3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 95337351
N-(dicyclopropylmethyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 35465234
N-(cyclopentylcarbamoyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 27040105
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-iodo-3,5-dimethylpyrazol-1-yl)ethanone
CID 21071008
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one (CID 9255444) is 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is ITLFYOYSSJKFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c20-15-3-1-14(2-4-15)18-22-25(19(27)28-18)13-17(26)24-11-9-23(10-12-24)16-5-7-21-8-6-16/h1-8H,9-13H2.
What are the key properties of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 383.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 9255444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).