5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole

C16H18N6O2 — CID 134478518

IUPAC5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESc1cc2cnn(C3COC3)c2cc1-c1nc(N2CCNCC2)no1
InChIInChI=1S/C16H18N6O2/c1-2-12-8-18-22(13-9-23-10-13)14(12)7-11(1)15-19-16(20-24-15)21-5-3-17-4-6-21/h1-2,7-8,13,17H,3-6,9-10H2
InChIKeyVONFRFLRABXVJE-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.07
Rot. Bonds3

About 5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole

5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole (PubChem CID 134478518) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole
PubChem CID134478518
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESc1cc2cnn(C3COC3)c2cc1-c1nc(N2CCNCC2)no1
InChIInChI=1S/C16H18N6O2/c1-2-12-8-18-22(13-9-23-10-13)14(12)7-11(1)15-19-16(20-24-15)21-5-3-17-4-6-21/h1-2,7-8,13,17H,3-6,9-10H2
InChIKeyVONFRFLRABXVJE-UHFFFAOYSA-N
XLogP1.07
TPSA81.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole (CID 134478518) is 5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole is c1cc2cnn(C3COC3)c2cc1-c1nc(N2CCNCC2)no1.
What is the InChIKey of 5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole?
The InChIKey is VONFRFLRABXVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-2-12-8-18-22(13-9-23-10-13)14(12)7-11(1)15-19-16(20-24-15)21-5-3-17-4-6-21/h1-2,7-8,13,17H,3-6,9-10H2.
What are the key properties of 5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole?
5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole has a molecular weight of 326.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 134478518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).