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

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Related Compounds

methyl 4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]-1,4-diazepane-1-carboxylate
CID 134477599
methyl 1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]azepane-4-carboxylate
CID 153308106
[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone
CID 134478520
3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 142573668
(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477842
2-methyl-1-[(4R)-2-methyl-4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 137437820
(3-fluoro-2-pyridinyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477803
methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 142573619
methyl 4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477500
tert-butyl (2S,4S)-2-methyl-4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439350
(3-methyloxolan-3-yl)-[4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 134477741
7-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 167960643

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).