tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate

C17H26N4O5 — CID 135167833

About tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate

tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate (PubChem CID 135167833) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
• PubChem CID: 135167833
• Molecular Formula: C17H26N4O5
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.19
• IUPAC Name: tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
• SMILES: CC1CCC2(CN([C@H](c3nnco3)[C@@H](C)O)C2=O)N1C(=O)OC(C)(C)C
• InChI: InChI=1S/C17H26N4O5/c1-10-6-7-17(21(10)15(24)26-16(3,4)5)8-20(14(17)23)12(11(2)22)13-19-18-9-25-13/h9-12,22H,6-8H2,1-5H3/t10?,11-,12+,17?/m1/s1
• InChIKey: WARVOIFLRMRIFE-SVUPHLTFSA-N
• XLogP: 1.49
• TPSA: 109.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?

The IUPAC name of tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate (CID 135167833) is tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate.

What is the SMILES notation for tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?

The canonical SMILES for tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate is CC1CCC2(CN([C@H](c3nnco3)[C@@H](C)O)C2=O)N1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?

The InChIKey is WARVOIFLRMRIFE-SVUPHLTFSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-10-6-7-17(21(10)15(24)26-16(3,4)5)8-20(14(17)23)12(11(2)22)13-19-18-9-25-13/h9-12,22H,6-8H2,1-5H3/t10?,11-,12+,17?/m1/s1.

What are the key properties of tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?

tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 135167833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).