5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole

C16H16N6O — CID 133482718

IUPAC5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(N3CCN(c4cccnn4)CC3)no2)cc1
InChIInChI=1S/C16H16N6O/c1-2-5-13(6-3-1)15-18-16(20-23-15)22-11-9-21(10-12-22)14-7-4-8-17-19-14/h1-8H,9-12H2
InChIKeyXISMAMXZXIMDFZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.85
Rot. Bonds3

About 5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole

5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole (PubChem CID 133482718) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole
PubChem CID133482718
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(N3CCN(c4cccnn4)CC3)no2)cc1
InChIInChI=1S/C16H16N6O/c1-2-5-13(6-3-1)15-18-16(20-23-15)22-11-9-21(10-12-22)14-7-4-8-17-19-14/h1-8H,9-12H2
InChIKeyXISMAMXZXIMDFZ-UHFFFAOYSA-N
XLogP1.85
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482280
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133481509
5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole
CID 133483432
1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133482892
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
(3aS,5R,6R,7aR)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 133112625
1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone
CID 133481703
3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 155948851
2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 133481529
1-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-9-oxa-1,4-diazaspiro[5.5]undecane
CID 139599368

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole (CID 133482718) is 5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole is c1ccc(-c2nc(N3CCN(c4cccnn4)CC3)no2)cc1.
What is the InChIKey of 5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole?
The InChIKey is XISMAMXZXIMDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-2-5-13(6-3-1)15-18-16(20-23-15)22-11-9-21(10-12-22)14-7-4-8-17-19-14/h1-8H,9-12H2.
What are the key properties of 5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole?
5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole has a molecular weight of 308.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 133482718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).