9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

C14H23N5O2 — CID 120991096

About 9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120991096) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

• Compound Name: 9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
• PubChem CID: 120991096
• Molecular Formula: C14H23N5O2
• Molecular Weight: 293.37 g/mol
• Exact Mass: 293.19
• IUPAC Name: 9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
• SMILES: Nc1noc(CCNC(=O)C2CC3CCCC(C2)C3N)n1
• InChI: InChI=1S/C14H23N5O2/c15-12-8-2-1-3-9(12)7-10(6-8)13(20)17-5-4-11-18-14(16)19-21-11/h8-10,12H,1-7,15H2,(H2,16,19)(H,17,20)
• InChIKey: IIJBSLGWIVLWEJ-UHFFFAOYSA-N
• XLogP: 0.46
• TPSA: 120.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.37
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?

The IUPAC name of 9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120991096) is 9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

What is the SMILES notation for 9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?

The canonical SMILES for 9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is Nc1noc(CCNC(=O)C2CC3CCCC(C2)C3N)n1.

What is the InChIKey of 9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?

The InChIKey is IIJBSLGWIVLWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c15-12-8-2-1-3-9(12)7-10(6-8)13(20)17-5-4-11-18-14(16)19-21-11/h8-10,12H,1-7,15H2,(H2,16,19)(H,17,20).

What are the key properties of 9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?

9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-amino-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120991096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).