1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine

C12H10Cl2N6O — CID 79782947

About 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine

1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 79782947) has the molecular formula C12H10Cl2N6O and a molecular weight of 325.16 g/mol. Its IUPAC name is 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

• Compound Name: 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
• PubChem CID: 79782947
• Molecular Formula: C12H10Cl2N6O
• Molecular Weight: 325.16 g/mol
• Exact Mass: 324.03
• IUPAC Name: 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
• SMILES: NC(Cc1cnc[nH]1)c1nc(-c2ncc(Cl)cc2Cl)no1
• InChI: InChI=1S/C12H10Cl2N6O/c13-6-1-8(14)10(17-3-6)11-19-12(21-20-11)9(15)2-7-4-16-5-18-7/h1,3-5,9H,2,15H2,(H,16,18)
• InChIKey: RHRDCASEVUZRBL-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 106.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.16
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?

The IUPAC name of 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine (CID 79782947) is 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine.

What is the SMILES notation for 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?

The canonical SMILES for 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine is NC(Cc1cnc[nH]1)c1nc(-c2ncc(Cl)cc2Cl)no1.

What is the InChIKey of 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?

The InChIKey is RHRDCASEVUZRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N6O/c13-6-1-8(14)10(17-3-6)11-19-12(21-20-11)9(15)2-7-4-16-5-18-7/h1,3-5,9H,2,15H2,(H,16,18).

What are the key properties of 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?

1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 325.16 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 79782947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).