3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole

C12H14N4O — CID 59511284

IUPAC3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole
SMILESc1ccc(-c2nonc2N2CCNCC2)cc1
InChIInChI=1S/C12H14N4O/c1-2-4-10(5-3-1)11-12(15-17-14-11)16-8-6-13-7-9-16/h1-5,13H,6-9H2
InChIKeyBHPHPTGNBJLKEP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.15
Rot. Bonds2

About 3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole

3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole (PubChem CID 59511284) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole
PubChem CID59511284
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole
SMILESc1ccc(-c2nonc2N2CCNCC2)cc1
InChIInChI=1S/C12H14N4O/c1-2-4-10(5-3-1)11-12(15-17-14-11)16-8-6-13-7-9-16/h1-5,13H,6-9H2
InChIKeyBHPHPTGNBJLKEP-UHFFFAOYSA-N
XLogP1.15
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine
CID 12782531
3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride
CID 75530610
4-phenyl-5-piperazin-1-ylpyrimidine
CID 59511159
1-[6-(4-fluorophenyl)-2,5-diphenylpyrimidin-4-yl]-1,4-diazepane
CID 59340699
1-(5-phenyl-1H-pyrazol-3-yl)piperazine
CID 55146910
4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine
CID 139438505
aniline;1-phenylpiperazine
CID 175572624
N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine
CID 10540883
5,8-dimethyl-2-phenyl-3-piperazin-1-ylimidazo[1,2-a]pyridine
CID 73012954
1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 52903593
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile
CID 14011873

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole?
The IUPAC name of 3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole (CID 59511284) is 3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole.
What is the SMILES notation for 3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole?
The canonical SMILES for 3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole is c1ccc(-c2nonc2N2CCNCC2)cc1.
What is the InChIKey of 3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole?
The InChIKey is BHPHPTGNBJLKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-4-10(5-3-1)11-12(15-17-14-11)16-8-6-13-7-9-16/h1-5,13H,6-9H2.
What are the key properties of 3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole?
3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole has a molecular weight of 230.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-piperazin-1-yl-1,2,5-oxadiazole is sourced from PubChem (CID 59511284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).