[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone

C20H17FN4O3 — CID 146024697

About [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone

[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 146024697) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

• Compound Name: [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone
• PubChem CID: 146024697
• Molecular Formula: C20H17FN4O3
• Molecular Weight: 380.38 g/mol
• Exact Mass: 380.13
• IUPAC Name: [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone
• SMILES: Cc1ccc(-c2cc(C(=O)N3CCCC3c3nc4ccc(F)cc4[nH]3)no2)o1
• InChI: InChI=1S/C20H17FN4O3/c1-11-4-7-17(27-11)18-10-15(24-28-18)20(26)25-8-2-3-16(25)19-22-13-6-5-12(21)9-14(13)23-19/h4-7,9-10,16H,2-3,8H2,1H3,(H,22,23)
• InChIKey: IKIFVPNJBOHAMB-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 88.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.38
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone?

The IUPAC name of [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone (CID 146024697) is [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone.

What is the SMILES notation for [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone?

The canonical SMILES for [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCCC3c3nc4ccc(F)cc4[nH]3)no2)o1.

What is the InChIKey of [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone?

The InChIKey is IKIFVPNJBOHAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-11-4-7-17(27-11)18-10-15(24-28-18)20(26)25-8-2-3-16(25)19-22-13-6-5-12(21)9-14(13)23-19/h4-7,9-10,16H,2-3,8H2,1H3,(H,22,23).

What are the key properties of [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone?

[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 380.38 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 146024697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).