propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate

C19H25N3O6S — CID 58022689

IUPACpropan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(OCc2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CC1
InChIInChI=1S/C19H25N3O6S/c1-13(2)27-19(23)22-10-8-15(9-11-22)26-12-17-20-18(21-28-17)14-4-6-16(7-5-14)29(3,24)25/h4-7,13,15H,8-12H2,1-3H3
InChIKeyBZJSJFBGPVUWLM-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.67
Rot. Bonds6

About propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate

propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate (PubChem CID 58022689) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
PubChem CID58022689
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Namepropan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(OCc2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CC1
InChIInChI=1S/C19H25N3O6S/c1-13(2)27-19(23)22-10-8-15(9-11-22)26-12-17-20-18(21-28-17)14-4-6-16(7-5-14)29(3,24)25/h4-7,13,15H,8-12H2,1-3H3
InChIKeyBZJSJFBGPVUWLM-UHFFFAOYSA-N
XLogP2.67
TPSA111.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[3-(3-methoxy-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
CID 58022787
propan-2-yl 3-[[3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 123285215
4-methylbenzenesulfonic acid;propan-2-yl 4-[[3-[6-[(3R,4S)-3-amino-4-(2-fluorophenyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
CID 46917171
pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
CID 11749160
2,2-dimethyl-1-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]propan-1-one
CID 11175343
(4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
CID 11464779
propan-2-yl 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylate
CID 59177825
tert-butyl 4-[[3-(3-ethenyl-4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate;ethane
CID 143388078
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 163338624
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 46609526
propan-2-yl 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 24993713
propan-2-yl 4-[6-[(2S)-2-amino-3-[2-fluoro-4-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoyl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 69328460

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate (CID 58022689) is propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(OCc2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CC1.
What is the InChIKey of propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate?
The InChIKey is BZJSJFBGPVUWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-13(2)27-19(23)22-10-8-15(9-11-22)26-12-17-20-18(21-28-17)14-4-6-16(7-5-14)29(3,24)25/h4-7,13,15H,8-12H2,1-3H3.
What are the key properties of propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate?
propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate has a molecular weight of 423.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 58022689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).