tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

C24H32N6O3 — CID 137439497

IUPACtert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILESCCN1CC(n2cc3ccc(-c4noc(C5CCN(C(=O)OC(C)(C)C)CC5)n4)cc3n2)C1
InChIInChI=1S/C24H32N6O3/c1-5-28-14-19(15-28)30-13-18-7-6-17(12-20(18)26-30)21-25-22(33-27-21)16-8-10-29(11-9-16)23(31)32-24(2,3)4/h6-7,12-13,16,19H,5,8-11,14-15H2,1-4H3
InChIKeyYAVOZSBRNUOMDK-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.08
Rot. Bonds4

About tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate (PubChem CID 137439497) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
PubChem CID137439497
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Nametert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILESCCN1CC(n2cc3ccc(-c4noc(C5CCN(C(=O)OC(C)(C)C)CC5)n4)cc3n2)C1
InChIInChI=1S/C24H32N6O3/c1-5-28-14-19(15-28)30-13-18-7-6-17(12-20(18)26-30)21-25-22(33-27-21)16-8-10-29(11-9-16)23(31)32-24(2,3)4/h6-7,12-13,16,19H,5,8-11,14-15H2,1-4H3
InChIKeyYAVOZSBRNUOMDK-UHFFFAOYSA-N
XLogP4.08
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

tert-butyl 4-[3-[2-(1-acetylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477535
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
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 (3S)-3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 66618481
tert-butyl 4-[3-(1-methylimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142337967
tert-butyl (3R)-3-[3-(4-nonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 154660982
tert-butyl 4-[3-[1-[(1E)-3-fluorobuta-1,3-dienyl]indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477759
tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134478427
tert-butyl 3-[6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]indazol-1-yl]azetidine-1-carboxylate;ethane
CID 142338166
tert-butyl 4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439530
tert-butyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 66618671
tert-butyl (3R)-3-[3-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 154661075

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate (CID 137439497) is tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate is CCN1CC(n2cc3ccc(-c4noc(C5CCN(C(=O)OC(C)(C)C)CC5)n4)cc3n2)C1.
What is the InChIKey of tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The InChIKey is YAVOZSBRNUOMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-5-28-14-19(15-28)30-13-18-7-6-17(12-20(18)26-30)21-25-22(33-27-21)16-8-10-29(11-9-16)23(31)32-24(2,3)4/h6-7,12-13,16,19H,5,8-11,14-15H2,1-4H3.
What are the key properties of tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate has a molecular weight of 452.56 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 137439497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).