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

C20H27FN4O6S — CID 24863006

IUPACtert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
SMILESCC(OC1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2ccc(S(N)(=O)=O)c(F)c2)no1
InChIInChI=1S/C20H27FN4O6S/c1-12(29-14-7-9-25(10-8-14)19(26)30-20(2,3)4)18-23-17(24-31-18)13-5-6-16(15(21)11-13)32(22,27)28/h5-6,11-12,14H,7-10H2,1-4H3,(H2,22,27,28)
InChIKeyCEHSZZLZRPDGNR-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.00
Rot. Bonds5

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

tert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate (PubChem CID 24863006) has the molecular formula C20H27FN4O6S and a molecular weight of 470.52 g/mol. Its IUPAC name is tert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
PubChem CID24863006
Molecular FormulaC20H27FN4O6S
Molecular Weight470.52 g/mol
Exact Mass470.16
IUPAC Nametert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
SMILESCC(OC1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2ccc(S(N)(=O)=O)c(F)c2)no1
InChIInChI=1S/C20H27FN4O6S/c1-12(29-14-7-9-25(10-8-14)19(26)30-20(2,3)4)18-23-17(24-31-18)13-5-6-16(15(21)11-13)32(22,27)28/h5-6,11-12,14H,7-10H2,1-4H3,(H2,22,27,28)
InChIKeyCEHSZZLZRPDGNR-UHFFFAOYSA-N
XLogP3.00
TPSA137.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

tert-butyl 4-[(1S)-1-[3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
CID 24862850
tert-butyl [4-[(1R)-1-[3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidin-1-yl] carbonate
CID 70376054
tert-butyl 4-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
CID 74337457
tert-butyl [4-[1-[3-(4-carbamoyl-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidin-1-yl] carbonate
CID 70376020
propan-2-yl 4-[1-[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
CID 91294813
tert-butyl 4-[3-[3-(3-fluoro-4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidine-1-carboxylate
CID 68912258
tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate
CID 70376060
propan-2-yl 4-[(1R)-1-[3-[6-[(3R,4S)-3-amino-4-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
CID 46917188
tert-butyl 4-[[3-(3-methoxy-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
CID 58022787
tert-butyl 4-[[3-(3-ethenyl-4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate;ethane
CID 143388078
tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate
CID 67702627
4-methylbenzenesulfonic acid;propan-2-yl 4-[(1R)-1-[3-[2-[(3R,4S)-3-amino-4-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
CID 46917224

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate (CID 24863006) is tert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate is CC(OC1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2ccc(S(N)(=O)=O)c(F)c2)no1.
What is the InChIKey of tert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate?
The InChIKey is CEHSZZLZRPDGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O6S/c1-12(29-14-7-9-25(10-8-14)19(26)30-20(2,3)4)18-23-17(24-31-18)13-5-6-16(15(21)11-13)32(22,27)28/h5-6,11-12,14H,7-10H2,1-4H3,(H2,22,27,28).
What are the key properties of tert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate?
tert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate has a molecular weight of 470.52 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 24863006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).