2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide

C19H25N3O2 — CID 66874139

About 2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide

2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide (PubChem CID 66874139) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide
• PubChem CID: 66874139
• Molecular Formula: C19H25N3O2
• Molecular Weight: 327.43 g/mol
• Exact Mass: 327.19
• IUPAC Name: 2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide
• SMILES: CCc1nc2c(C(=O)NC3CC4CCCC(C3)N4C)cccc2o1
• InChI: InChI=1S/C19H25N3O2/c1-3-17-21-18-15(8-5-9-16(18)24-17)19(23)20-12-10-13-6-4-7-14(11-12)22(13)2/h5,8-9,12-14H,3-4,6-7,10-11H2,1-2H3,(H,20,23)
• InChIKey: DQGGQUIXLVJBCG-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.43
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide?

The IUPAC name of 2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide (CID 66874139) is 2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide.

What is the SMILES notation for 2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide?

The canonical SMILES for 2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide is CCc1nc2c(C(=O)NC3CC4CCCC(C3)N4C)cccc2o1.

What is the InChIKey of 2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide?

The InChIKey is DQGGQUIXLVJBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-17-21-18-15(8-5-9-16(18)24-17)19(23)20-12-10-13-6-4-7-14(11-12)22(13)2/h5,8-9,12-14H,3-4,6-7,10-11H2,1-2H3,(H,20,23).

What are the key properties of 2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide?

2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 66874139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).