tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate

C22H30FN3O6S — CID 70376060

IUPACtert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate
SMILESCCC(OC1CCN(OC(=O)OC(C)(C)C)CC1)c1nc(-c2ccc(S(C)=O)c(F)c2)no1
InChIInChI=1S/C22H30FN3O6S/c1-6-17(29-15-9-11-26(12-10-15)32-21(27)30-22(2,3)4)20-24-19(25-31-20)14-7-8-18(33(5)28)16(23)13-14/h7-8,13,15,17H,6,9-12H2,1-5H3
InChIKeyPNVFNSSBELGDMT-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.41
Rot. Bonds7

About tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate

tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate (PubChem CID 70376060) has the molecular formula C22H30FN3O6S and a molecular weight of 483.56 g/mol. Its IUPAC name is tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate
PubChem CID70376060
Molecular FormulaC22H30FN3O6S
Molecular Weight483.56 g/mol
Exact Mass483.18
IUPAC Nametert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate
SMILESCCC(OC1CCN(OC(=O)OC(C)(C)C)CC1)c1nc(-c2ccc(S(C)=O)c(F)c2)no1
InChIInChI=1S/C22H30FN3O6S/c1-6-17(29-15-9-11-26(12-10-15)32-21(27)30-22(2,3)4)20-24-19(25-31-20)14-7-8-18(33(5)28)16(23)13-14/h7-8,13,15,17H,6,9-12H2,1-5H3
InChIKeyPNVFNSSBELGDMT-UHFFFAOYSA-N
XLogP4.41
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate 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 [4-[1-[3-(4-carbamoyl-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidin-1-yl] carbonate
CID 70376020
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-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
CID 24863006
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-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
CID 74337457
[4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892639
tert-butyl 4-[3-[3-(3-fluoro-4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidine-1-carboxylate
CID 68912258
tert-butyl N-[1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]carbamate
CID 78899802
5-ethyl-3-[4-[1-[3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]-1,2,4-oxadiazole
CID 51357546
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63344808
ethane;3-(3-ethyl-4-methylsulfinylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 143388136
1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one
CID 161493482

Frequently Asked Questions

What is the IUPAC name of tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate?
The IUPAC name of tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate (CID 70376060) is tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate.
What is the SMILES notation for tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate?
The canonical SMILES for tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate is CCC(OC1CCN(OC(=O)OC(C)(C)C)CC1)c1nc(-c2ccc(S(C)=O)c(F)c2)no1.
What is the InChIKey of tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate?
The InChIKey is PNVFNSSBELGDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O6S/c1-6-17(29-15-9-11-26(12-10-15)32-21(27)30-22(2,3)4)20-24-19(25-31-20)14-7-8-18(33(5)28)16(23)13-14/h7-8,13,15,17H,6,9-12H2,1-5H3.
What are the key properties of tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate?
tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate has a molecular weight of 483.56 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [4-[1-[3-(3-fluoro-4-methylsulfinylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidin-1-yl] carbonate is sourced from PubChem (CID 70376060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).