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3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one

C24H29N5O3 — CID 142573668

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCC1)N1CCC(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1
InChIInChI=1S/C24H29N5O3/c30-22(7-4-16-2-1-3-16)28-10-8-17(9-11-28)23-26-24(32-27-23)18-5-6-19-13-25-29(21(19)12-18)20-14-31-15-20/h5-6,12-13,16-17,20H,1-4,7-11,14-15H2
InChIKeyLAQDMLRFXAEBGZ-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.94
Rot. Bonds6

About 3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one

3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 142573668) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
PubChem CID142573668
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCC1)N1CCC(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1
InChIInChI=1S/C24H29N5O3/c30-22(7-4-16-2-1-3-16)28-10-8-17(9-11-28)23-26-24(32-27-23)18-5-6-19-13-25-29(21(19)12-18)20-14-31-15-20/h5-6,12-13,16-17,20H,1-4,7-11,14-15H2
InChIKeyLAQDMLRFXAEBGZ-UHFFFAOYSA-N
XLogP3.94
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 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) is 3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one is O=C(CCC1CCC1)N1CCC(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1.
What is the InChIKey of 3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is LAQDMLRFXAEBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c30-22(7-4-16-2-1-3-16)28-10-8-17(9-11-28)23-26-24(32-27-23)18-5-6-19-13-25-29(21(19)12-18)20-14-31-15-20/h5-6,12-13,16-17,20H,1-4,7-11,14-15H2.
What are the key properties of 3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 435.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 142573668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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