tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate

C24H30F2N6O4 — CID 134477788

IUPACtert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)CNC(=O)OC(C)(C)C)CC4(F)F)n3)cc21
InChIInChI=1S/C24H30F2N6O4/c1-14(2)32-18-10-15(6-7-16(18)11-28-32)20-29-21(36-30-20)17-8-9-31(13-24(17,25)26)19(33)12-27-22(34)35-23(3,4)5/h6-7,10-11,14,17H,8-9,12-13H2,1-5H3,(H,27,34)
InChIKeyFNHIYOQSTKTHBS-UHFFFAOYSA-N
MW504.54 g/mol
LogP4.14
Rot. Bonds5

About tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 134477788) has the molecular formula C24H30F2N6O4 and a molecular weight of 504.54 g/mol. Its IUPAC name is tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID134477788
Molecular FormulaC24H30F2N6O4
Molecular Weight504.54 g/mol
Exact Mass504.23
IUPAC Nametert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)CNC(=O)OC(C)(C)C)CC4(F)F)n3)cc21
InChIInChI=1S/C24H30F2N6O4/c1-14(2)32-18-10-15(6-7-16(18)11-28-32)20-29-21(36-30-20)17-8-9-31(13-24(17,25)26)19(33)12-27-22(34)35-23(3,4)5/h6-7,10-11,14,17H,8-9,12-13H2,1-5H3,(H,27,34)
InChIKeyFNHIYOQSTKTHBS-UHFFFAOYSA-N
XLogP4.14
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]carbamate
CID 153308155
4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134477787
3-cyano-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134477783
tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate
CID 134477858
5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide
CID 152870328
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
(1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 134478198
4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide
CID 134477706
N-[2-[3,3-difluoro-4-[3-[4-methanimidoyl-3-(propan-2-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134478140
(1-methylcyclopropyl) 4-[3-[1-(difluoromethyl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 153308090
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-[1-[(1E)-3-fluorobuta-1,3-dienyl]indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477759

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate (CID 134477788) is tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate is CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)CNC(=O)OC(C)(C)C)CC4(F)F)n3)cc21.
What is the InChIKey of tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is FNHIYOQSTKTHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N6O4/c1-14(2)32-18-10-15(6-7-16(18)11-28-32)20-29-21(36-30-20)17-8-9-31(13-24(17,25)26)19(33)12-27-22(34)35-23(3,4)5/h6-7,10-11,14,17H,8-9,12-13H2,1-5H3,(H,27,34).
What are the key properties of tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 504.54 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 134477788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).