cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone

C22H21N5O3 — CID 142573583

IUPACcyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone
SMILESO=C(C1=C=CC1)C1CCN(c2nnc(-c3ccc4cnn(C5COC5)c4c3)o2)CC1
InChIInChI=1S/C22H21N5O3/c28-20(14-2-1-3-14)15-6-8-26(9-7-15)22-25-24-21(30-22)16-4-5-17-11-23-27(19(17)10-16)18-12-29-13-18/h1,4-5,10-11,15,18H,2,6-9,12-13H2
InChIKeyTWBBHBFGALDMGF-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.93
Rot. Bonds5

About cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone

cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone (PubChem CID 142573583) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namecyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone
PubChem CID142573583
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Namecyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone
SMILESO=C(C1=C=CC1)C1CCN(c2nnc(-c3ccc4cnn(C5COC5)c4c3)o2)CC1
InChIInChI=1S/C22H21N5O3/c28-20(14-2-1-3-14)15-6-8-26(9-7-15)22-25-24-21(30-22)16-4-5-17-11-23-27(19(17)10-16)18-12-29-13-18/h1,4-5,10-11,15,18H,2,6-9,12-13H2
InChIKeyTWBBHBFGALDMGF-UHFFFAOYSA-N
XLogP2.93
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]azepane-4-carboxylate
CID 153308106
(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477842
methyl 4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]-1,4-diazepane-1-carboxylate
CID 134477599
[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
5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole
CID 134478518
methyl 4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477500
(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
[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53166939
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-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
N-cyclopropyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166922
(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

Frequently Asked Questions

What is the IUPAC name of cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone?
The IUPAC name of cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone (CID 142573583) is cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone.
What is the SMILES notation for cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone?
The canonical SMILES for cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone is O=C(C1=C=CC1)C1CCN(c2nnc(-c3ccc4cnn(C5COC5)c4c3)o2)CC1.
What is the InChIKey of cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone?
The InChIKey is TWBBHBFGALDMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c28-20(14-2-1-3-14)15-6-8-26(9-7-15)22-25-24-21(30-22)16-4-5-17-11-23-27(19(17)10-16)18-12-29-13-18/h1,4-5,10-11,15,18H,2,6-9,12-13H2.
What are the key properties of cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone?
cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone has a molecular weight of 403.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobuta-1,2-dien-1-yl-[1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 142573583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).