[(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium

C61H94N14O18S2 — CID 158716192

About [(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium

[(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium (PubChem CID 158716192) has the molecular formula C61H94N14O18S2 and a molecular weight of 1375.64 g/mol. Its IUPAC name is [(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium.

Molecular Properties

• Compound Name: [(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium
• PubChem CID: 158716192
• Molecular Formula: C61H94N14O18S2
• Molecular Weight: 1375.64 g/mol
• Exact Mass: 1374.63
• IUPAC Name: [(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O=C1N2C[C@@H](CC[C@H]2c2nnc(COC3CCC3)o2)N1OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2c2nnc(COC3CCC3)o2)N1OS(=O)(=O)[O-].O=C1N2C[C@@H](CC[C@H]2c2nnc(COC3CNC3)o2)N1OS(=O)(=O)O
• InChI: InChI=1S/C20H24N4O4.C16H36N.C13H18N4O7S.C12H17N5O7S/c25-20-23-11-15(24(20)27-12-14-5-2-1-3-6-14)9-10-17(23)19-22-21-18(28-19)13-26-16-7-4-8-16;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;18-13-16-6-8(17(13)24-25(19,20)21)4-5-10(16)12-15-14-11(23-12)7-22-9-2-1-3-9;18-12-16-5-7(17(12)24-25(19,20)21)1-2-9(16)11-15-14-10(23-11)6-22-8-3-13-4-8/h1-3,5-6,15-17H,4,7-13H2;5-16H2,1-4H3;8-10H,1-7H2,(H,19,20,21);7-9,13H,1-6H2,(H,19,20,21)/q;+1;;/p-1/t15-,17+;;8-,10+;7-,9+/m1.11/s1
• InChIKey: QJGVAPIQCYYGCC-PIHDNWGSSA-M
• XLogP: 7.92
• TPSA: 366.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1375.64
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium?

The IUPAC name of [(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium (CID 158716192) is [(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium.

What is the SMILES notation for [(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium?

The canonical SMILES for [(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium is CCCC[N+](CCCC)(CCCC)CCCC.O=C1N2C[C@@H](CC[C@H]2c2nnc(COC3CCC3)o2)N1OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2c2nnc(COC3CCC3)o2)N1OS(=O)(=O)[O-].O=C1N2C[C@@H](CC[C@H]2c2nnc(COC3CNC3)o2)N1OS(=O)(=O)O.

What is the InChIKey of [(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium?

The InChIKey is QJGVAPIQCYYGCC-PIHDNWGSSA-M. The full InChI is InChI=1S/C20H24N4O4.C16H36N.C13H18N4O7S.C12H17N5O7S/c25-20-23-11-15(24(20)27-12-14-5-2-1-3-6-14)9-10-17(23)19-22-21-18(28-19)13-26-16-7-4-8-16;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;18-13-16-6-8(17(13)24-25(19,20)21)4-5-10(16)12-15-14-11(23-12)7-22-9-2-1-3-9;18-12-16-5-7(17(12)24-25(19,20)21)1-2-9(16)11-15-14-10(23-11)6-22-8-3-13-4-8/h1-3,5-6,15-17H,4,7-13H2;5-16H2,1-4H3;8-10H,1-7H2,(H,19,20,21);7-9,13H,1-6H2,(H,19,20,21)/q;+1;;/p-1/t15-,17+;;8-,10+;7-,9+/m1.11/s1.

What are the key properties of [(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium?

[(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium has a molecular weight of 1375.64 g/mol, XLogP of 7.92, 31 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,5R)-2-[5-(azetidin-3-yloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;[(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(cyclobutyloxymethyl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;tetrabutylazanium is sourced from PubChem (CID 158716192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).