1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C20H19FN4O2 — CID 120857520

About 1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120857520) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

• Compound Name: 1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
• PubChem CID: 120857520
• Molecular Formula: C20H19FN4O2
• Molecular Weight: 366.40 g/mol
• Exact Mass: 366.15
• IUPAC Name: 1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
• SMILES: NC1(c2noc(/C=C/c3ccc(Oc4cccnc4)c(F)c3)n2)CCCC1
• InChI: InChI=1S/C20H19FN4O2/c21-16-12-14(5-7-17(16)26-15-4-3-11-23-13-15)6-8-18-24-19(25-27-18)20(22)9-1-2-10-20/h3-8,11-13H,1-2,9-10,22H2/b8-6+
• InChIKey: CRRQNKJZWJKKQG-SOFGYWHQSA-N
• XLogP: 4.29
• TPSA: 87.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.40
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?

The IUPAC name of 1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120857520) is 1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

What is the SMILES notation for 1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?

The canonical SMILES for 1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(/C=C/c3ccc(Oc4cccnc4)c(F)c3)n2)CCCC1.

What is the InChIKey of 1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?

The InChIKey is CRRQNKJZWJKKQG-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-12-14(5-7-17(16)26-15-4-3-11-23-13-15)6-8-18-24-19(25-27-18)20(22)9-1-2-10-20/h3-8,11-13H,1-2,9-10,22H2/b8-6+.

What are the key properties of 1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?

1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 366.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120857520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).