1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C20H18N4O3 — CID 74506900

About 1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 74506900) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
• PubChem CID: 74506900
• Molecular Formula: C20H18N4O3
• Molecular Weight: 362.39 g/mol
• Exact Mass: 362.14
• IUPAC Name: 1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
• SMILES: OC1CC(c2nc(-c3cccnc3)no2)N(Cc2cc3ccccc3o2)C1
• InChI: InChI=1S/C20H18N4O3/c25-15-9-17(20-22-19(23-27-20)14-5-3-7-21-10-14)24(11-15)12-16-8-13-4-1-2-6-18(13)26-16/h1-8,10,15,17,25H,9,11-12H2
• InChIKey: QEAMRLLQGPDQGO-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 88.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.39
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?

The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 74506900) is 1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?

The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is OC1CC(c2nc(-c3cccnc3)no2)N(Cc2cc3ccccc3o2)C1.

What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?

The InChIKey is QEAMRLLQGPDQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-15-9-17(20-22-19(23-27-20)14-5-3-7-21-10-14)24(11-15)12-16-8-13-4-1-2-6-18(13)26-16/h1-8,10,15,17,25H,9,11-12H2.

What are the key properties of 1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?

1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 362.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 74506900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).