tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate

C20H25N5O3 — CID 142719018

IUPACtert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
SMILESCC(C)c1nn(-c2noc(C3CN(C(=O)OC(C)(C)C)C3)n2)c2ccccc12
InChIInChI=1S/C20H25N5O3/c1-12(2)16-14-8-6-7-9-15(14)25(22-16)18-21-17(28-23-18)13-10-24(11-13)19(26)27-20(3,4)5/h6-9,12-13H,10-11H2,1-5H3
InChIKeyWXIDSDUWBADVDL-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.87
Rot. Bonds3

About tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate

tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (PubChem CID 142719018) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
PubChem CID142719018
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Nametert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
SMILESCC(C)c1nn(-c2noc(C3CN(C(=O)OC(C)(C)C)C3)n2)c2ccccc12
InChIInChI=1S/C20H25N5O3/c1-12(2)16-14-8-6-7-9-15(14)25(22-16)18-21-17(28-23-18)13-10-24(11-13)19(26)27-20(3,4)5/h6-9,12-13H,10-11H2,1-5H3
InChIKeyWXIDSDUWBADVDL-UHFFFAOYSA-N
XLogP3.87
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142719047
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 3-[3-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 154660611
tert-butyl (3S)-3-[[(3R)-3-[[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 142718941
3-(3-methylindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 71090117
tert-butyl (3S)-3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 66618481
1-[4-[[[3-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]amino]methyl]piperidin-1-yl]ethanone
CID 142718946
tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate
CID 169167060
tert-butyl 3-(3-bromoindazol-1-yl)azetidine-1-carboxylate
CID 178043117
2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid
CID 174721693
tert-butyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 66618445
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121098510

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (CID 142719018) is tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is CC(C)c1nn(-c2noc(C3CN(C(=O)OC(C)(C)C)C3)n2)c2ccccc12.
What is the InChIKey of tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?
The InChIKey is WXIDSDUWBADVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12(2)16-14-8-6-7-9-15(14)25(22-16)18-21-17(28-23-18)13-10-24(11-13)19(26)27-20(3,4)5/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?
tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is sourced from PubChem (CID 142719018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).