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

C20H25N5O3 — CID 142719047

IUPACtert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILESCc1nn(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c2ccccc12
InChIInChI=1S/C20H25N5O3/c1-13-15-7-5-6-8-16(15)25(22-13)18-21-17(28-23-18)14-9-11-24(12-10-14)19(26)27-20(2,3)4/h5-8,14H,9-12H2,1-4H3
InChIKeyNFRTXUILIBCHHV-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.83
Rot. Bonds2

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

tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate (PubChem CID 142719047) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
PubChem CID142719047
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Nametert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILESCc1nn(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c2ccccc12
InChIInChI=1S/C20H25N5O3/c1-13-15-7-5-6-8-16(15)25(22-13)18-21-17(28-23-18)14-9-11-24(12-10-14)19(26)27-20(2,3)4/h5-8,14H,9-12H2,1-4H3
InChIKeyNFRTXUILIBCHHV-UHFFFAOYSA-N
XLogP3.83
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 142719018
3-(3-methylindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 71090117
2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine
CID 71113030
N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide
CID 71113032
tert-butyl 4-[3-(6,7-difluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142718934
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 4-[3-(3-ethyl-6-fluoroindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;3-ethyl-6-fluoro-N'-hydroxyindazole-1-carboximidamide
CID 172942035
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142520820
tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 157386605
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 118960889
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate (CID 142719047) is tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate is Cc1nn(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c2ccccc12.
What is the InChIKey of tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The InChIKey is NFRTXUILIBCHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-15-7-5-6-8-16(15)25(22-13)18-21-17(28-23-18)14-9-11-24(12-10-14)19(26)27-20(2,3)4/h5-8,14H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 142719047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).