tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

C19H25N5O3 — CID 176613430

About tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 176613430) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
• PubChem CID: 176613430
• Molecular Formula: C19H25N5O3
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.20
• IUPAC Name: tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
• SMILES: Cc1nnc(-c2ccc(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)cn2)o1
• InChI: InChI=1S/C19H25N5O3/c1-12-21-22-17(26-12)16-8-7-13(9-20-16)23-10-14-5-6-15(11-23)24(14)18(25)27-19(2,3)4/h7-9,14-15H,5-6,10-11H2,1-4H3
• InChIKey: UCSKGAMCJXKJTH-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 84.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?

The IUPAC name of tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (CID 176613430) is tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate.

What is the SMILES notation for tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?

The canonical SMILES for tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is Cc1nnc(-c2ccc(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)cn2)o1.

What is the InChIKey of tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?

The InChIKey is UCSKGAMCJXKJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12-21-22-17(26-12)16-8-7-13(9-20-16)23-10-14-5-6-15(11-23)24(14)18(25)27-19(2,3)4/h7-9,14-15H,5-6,10-11H2,1-4H3.

What are the key properties of tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?

tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 176613430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).