3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

C15H15N3O2 — CID 102780929

IUPAC3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCNC1c1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C15H15N3O2/c1-9-6-7-16-13(9)15-17-14(18-20-15)12-8-10-4-2-3-5-11(10)19-12/h2-5,8-9,13,16H,6-7H2,1H3
InChIKeyLEYVOKZYRVOPAI-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.15
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 102780929) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID102780929
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCNC1c1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C15H15N3O2/c1-9-6-7-16-13(9)15-17-14(18-20-15)12-8-10-4-2-3-5-11(10)19-12/h2-5,8-9,13,16H,6-7H2,1H3
InChIKeyLEYVOKZYRVOPAI-UHFFFAOYSA-N
XLogP3.15
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 102780929) is 3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is CC1CCNC1c1nc(-c2cc3ccccc3o2)no1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is LEYVOKZYRVOPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-6-7-16-13(9)15-17-14(18-20-15)12-8-10-4-2-3-5-11(10)19-12/h2-5,8-9,13,16H,6-7H2,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 269.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 102780929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).