tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C20H26N4O5 — CID 137439750

IUPACtert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(-c3ccc(=O)n(C4COC4)c3)n2)CC1
InChIInChI=1S/C20H26N4O5/c1-20(2,3)28-19(26)23-8-6-13(7-9-23)17-21-18(29-22-17)14-4-5-16(25)24(10-14)15-11-27-12-15/h4-5,10,13,15H,6-9,11-12H2,1-3H3
InChIKeyDCXCINCTFNKZJA-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.58
Rot. Bonds3

About tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 137439750) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID137439750
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Nametert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(-c3ccc(=O)n(C4COC4)c3)n2)CC1
InChIInChI=1S/C20H26N4O5/c1-20(2,3)28-19(26)23-8-6-13(7-9-23)17-21-18(29-22-17)14-4-5-16(25)24(10-14)15-11-27-12-15/h4-5,10,13,15H,6-9,11-12H2,1-3H3
InChIKeyDCXCINCTFNKZJA-UHFFFAOYSA-N
XLogP2.58
TPSA99.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 142520672
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 3-[5-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxylate
CID 130454511
tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439268
(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477842
tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 155066830
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439580
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
tert-butyl 4-[[5-(4-aminophenyl)-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 89127589
tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 11233605
(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270829

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 137439750) is tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2noc(-c3ccc(=O)n(C4COC4)c3)n2)CC1.
What is the InChIKey of tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is DCXCINCTFNKZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-20(2,3)28-19(26)23-8-6-13(7-9-23)17-21-18(29-22-17)14-4-5-16(25)24(10-14)15-11-27-12-15/h4-5,10,13,15H,6-9,11-12H2,1-3H3.
What are the key properties of tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 137439750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).