N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine

C17H19N5O2 — CID 134495827

About N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine (PubChem CID 134495827) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine.

Molecular Properties

• Compound Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine
• PubChem CID: 134495827
• Molecular Formula: C17H19N5O2
• Molecular Weight: 325.37 g/mol
• Exact Mass: 325.15
• IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine
• SMILES: Cc1nnc(-c2ccc3c(N[C@@H]4CN5CCC4CC5)noc3c2)o1
• InChI: InChI=1S/C17H19N5O2/c1-10-19-20-17(23-10)12-2-3-13-15(8-12)24-21-16(13)18-14-9-22-6-4-11(14)5-7-22/h2-3,8,11,14H,4-7,9H2,1H3,(H,18,21)/t14-/m1/s1
• InChIKey: RWEZVRQSDMEJNO-CQSZACIVSA-N
• XLogP: 2.69
• TPSA: 80.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.37
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine?

The IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine (CID 134495827) is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine.

What is the SMILES notation for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine?

The canonical SMILES for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine is Cc1nnc(-c2ccc3c(N[C@@H]4CN5CCC4CC5)noc3c2)o1.

What is the InChIKey of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine?

The InChIKey is RWEZVRQSDMEJNO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-19-20-17(23-10)12-2-3-13-15(8-12)24-21-16(13)18-14-9-22-6-4-11(14)5-7-22/h2-3,8,11,14H,4-7,9H2,1H3,(H,18,21)/t14-/m1/s1.

What are the key properties of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine?

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine has a molecular weight of 325.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 134495827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).