Tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate

C₁₃H₂₁N₃O₃ — CID 169167060

About Tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate

Tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate (PubChem CID 169167060) has the molecular formula C₁₃H₂₁N₃O₃ and a molecular weight of 267.33 g/mol. Its IUPAC name is tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate
• PubChem CID: 169167060
• Molecular Formula: C₁₃H₂₁N₃O₃
• Molecular Weight: 267.33 g/mol
• Exact Mass: 267.16
• IUPAC Name: tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate
• SMILES: CC(C)c1nnc(C2CN(C(=O)OC(C)(C)C)C2)o1
• InChI: InChI=1S/C13H21N3O3/c1-8(2)10-14-15-11(18-10)9-6-16(7-9)12(17)19-13(3,4)5/h8-9H,6-7H2,1-5H3
• InChIKey: ORZUZFZUAAEJMS-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.33
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate?

The IUPAC name of Tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate (CID 169167060) is tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate.

What is the SMILES notation for Tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate?

The canonical SMILES for Tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate is CC(C)c1nnc(C2CN(C(=O)OC(C)(C)C)C2)o1.

What is the InChIKey of Tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate?

The InChIKey is ORZUZFZUAAEJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)10-14-15-11(18-10)9-6-16(7-9)12(17)19-13(3,4)5/h8-9H,6-7H2,1-5H3.

What are the key properties of Tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate?

Tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate is sourced from PubChem (CID 169167060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169167060 — identifiers, structure, computed properties (public domain)

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