1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone

C19H21N3O3 — CID 71928909

IUPAC1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCO2)N1CCCC1c1noc(C2CC2)n1
InChIInChI=1S/C19H21N3O3/c23-17(11-12-3-6-16-14(10-12)7-9-24-16)22-8-1-2-15(22)18-20-19(25-21-18)13-4-5-13/h3,6,10,13,15H,1-2,4-5,7-9,11H2
InChIKeyKIUIVOFYKWSMLV-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.79
Rot. Bonds4

About 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone

1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone (PubChem CID 71928909) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
PubChem CID71928909
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCO2)N1CCCC1c1noc(C2CC2)n1
InChIInChI=1S/C19H21N3O3/c23-17(11-12-3-6-16-14(10-12)7-9-24-16)22-8-1-2-15(22)18-20-19(25-21-18)13-4-5-13/h3,6,10,13,15H,1-2,4-5,7-9,11H2
InChIKeyKIUIVOFYKWSMLV-UHFFFAOYSA-N
XLogP2.79
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone (CID 71928909) is 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone is O=C(Cc1ccc2c(c1)CCO2)N1CCCC1c1noc(C2CC2)n1.
What is the InChIKey of 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The InChIKey is KIUIVOFYKWSMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17(11-12-3-6-16-14(10-12)7-9-24-16)22-8-1-2-15(22)18-20-19(25-21-18)13-4-5-13/h3,6,10,13,15H,1-2,4-5,7-9,11H2.
What are the key properties of 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone has a molecular weight of 339.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 71928909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).