tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate

C16H25N5O6S — CID 168716797

IUPACtert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nnc(N3CC(S(N)(=O)=O)CC3=O)o2)CC1
InChIInChI=1S/C16H25N5O6S/c1-16(2,3)27-15(23)20-6-4-10(5-7-20)13-18-19-14(26-13)21-9-11(8-12(21)22)28(17,24)25/h10-11H,4-9H2,1-3H3,(H2,17,24,25)
InChIKeyJCBXAWLIIQNKCP-UHFFFAOYSA-N
MW415.47 g/mol
LogP0.58
Rot. Bonds3

About tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate (PubChem CID 168716797) has the molecular formula C16H25N5O6S and a molecular weight of 415.47 g/mol. Its IUPAC name is tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
PubChem CID168716797
Molecular FormulaC16H25N5O6S
Molecular Weight415.47 g/mol
Exact Mass415.15
IUPAC Nametert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nnc(N3CC(S(N)(=O)=O)CC3=O)o2)CC1
InChIInChI=1S/C16H25N5O6S/c1-16(2,3)27-15(23)20-6-4-10(5-7-20)13-18-19-14(26-13)21-9-11(8-12(21)22)28(17,24)25/h10-11H,4-9H2,1-3H3,(H2,17,24,25)
InChIKeyJCBXAWLIIQNKCP-UHFFFAOYSA-N
XLogP0.58
TPSA148.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

tert-butyl 4-[5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 168506881
tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 95566122
tert-butyl 4-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 59347479
tert-butyl 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 15991518
tert-butyl 3-sulfamoylpiperidine-1-carboxylate
CID 122702227
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 3-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 71250559
4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid
CID 125452079
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
tert-butyl 4-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 16876436
(3R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 42544015
tert-butyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)azetidine-1-carboxylate
CID 168711018

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate (CID 168716797) is tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC(S(N)(=O)=O)CC3=O)o2)CC1.
What is the InChIKey of tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is JCBXAWLIIQNKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O6S/c1-16(2,3)27-15(23)20-6-4-10(5-7-20)13-18-19-14(26-13)21-9-11(8-12(21)22)28(17,24)25/h10-11H,4-9H2,1-3H3,(H2,17,24,25).
What are the key properties of tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 415.47 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 168716797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).