tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C23H28FN5O3 — CID 142520672

IUPACtert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(-c3ccc4cnn(C5CCC5)c4c3F)n2)CC1
InChIInChI=1S/C23H28FN5O3/c1-23(2,3)31-22(30)28-11-9-14(10-12-28)20-26-21(32-27-20)17-8-7-15-13-25-29(16-5-4-6-16)19(15)18(17)24/h7-8,13-14,16H,4-6,9-12H2,1-3H3
InChIKeySJFPQWOXPABRAL-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.06
Rot. Bonds3

About tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 142520672) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID142520672
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Nametert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(-c3ccc4cnn(C5CCC5)c4c3F)n2)CC1
InChIInChI=1S/C23H28FN5O3/c1-23(2,3)31-22(30)28-11-9-14(10-12-28)20-26-21(32-27-20)17-8-7-15-13-25-29(16-5-4-6-16)19(15)18(17)24/h7-8,13-14,16H,4-6,9-12H2,1-3H3
InChIKeySJFPQWOXPABRAL-UHFFFAOYSA-N
XLogP5.06
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439750
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
tert-butyl 4-[(S)-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 139510091
tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 11233605
tert-butyl 4-(6-chloropyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 163560176
tert-butyl 4-[3-[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137026141
tert-butyl 3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 91809727
tert-butyl 4-[3-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134478013
tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate
CID 21097373
tert-butyl 3-[5-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxylate
CID 130454511
tert-butyl 4-[3-[3-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137025697
(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477842

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 142520672) is tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2noc(-c3ccc4cnn(C5CCC5)c4c3F)n2)CC1.
What is the InChIKey of tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is SJFPQWOXPABRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-23(2,3)31-22(30)28-11-9-14(10-12-28)20-26-21(32-27-20)17-8-7-15-13-25-29(16-5-4-6-16)19(15)18(17)24/h7-8,13-14,16H,4-6,9-12H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 441.51 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 142520672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).