5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol

C17H19N3O4 — CID 74507308

About 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol

5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol (PubChem CID 74507308) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol
• PubChem CID: 74507308
• Molecular Formula: C17H19N3O4
• Molecular Weight: 329.36 g/mol
• Exact Mass: 329.14
• IUPAC Name: 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol
• SMILES: OC1CC(c2nc(-c3ccc4c(c3)OCO4)no2)N(CC2CC2)C1
• InChI: InChI=1S/C17H19N3O4/c21-12-6-13(20(8-12)7-10-1-2-10)17-18-16(19-24-17)11-3-4-14-15(5-11)23-9-22-14/h3-5,10,12-13,21H,1-2,6-9H2
• InChIKey: OLGQQYCGPSGCII-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 80.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.36
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol?

The IUPAC name of 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol (CID 74507308) is 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol.

What is the SMILES notation for 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol?

The canonical SMILES for 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol is OC1CC(c2nc(-c3ccc4c(c3)OCO4)no2)N(CC2CC2)C1.

What is the InChIKey of 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol?

The InChIKey is OLGQQYCGPSGCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-12-6-13(20(8-12)7-10-1-2-10)17-18-16(19-24-17)11-3-4-14-15(5-11)23-9-22-14/h3-5,10,12-13,21H,1-2,6-9H2.

What are the key properties of 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol?

5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol has a molecular weight of 329.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 74507308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).