5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole

C15H15N3O2 — CID 166316805

IUPAC5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(Cc3nc([C@@H]4CCCN4)no3)coc2c1
InChIInChI=1S/C15H15N3O2/c1-2-6-13-11(4-1)10(9-19-13)8-14-17-15(18-20-14)12-5-3-7-16-12/h1-2,4,6,9,12,16H,3,5,7-8H2/t12-/m0/s1
InChIKeyBTPNSUGOMSAEQY-LBPRGKRZSA-N
MW269.30 g/mol
LogP2.83
Rot. Bonds3

About 5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole

5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 166316805) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID166316805
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(Cc3nc([C@@H]4CCCN4)no3)coc2c1
InChIInChI=1S/C15H15N3O2/c1-2-6-13-11(4-1)10(9-19-13)8-14-17-15(18-20-14)12-5-3-7-16-12/h1-2,4,6,9,12,16H,3,5,7-8H2/t12-/m0/s1
InChIKeyBTPNSUGOMSAEQY-LBPRGKRZSA-N
XLogP2.83
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 166316805) is 5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole is c1ccc2c(Cc3nc([C@@H]4CCCN4)no3)coc2c1.
What is the InChIKey of 5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is BTPNSUGOMSAEQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-6-13-11(4-1)10(9-19-13)8-14-17-15(18-20-14)12-5-3-7-16-12/h1-2,4,6,9,12,16H,3,5,7-8H2/t12-/m0/s1.
What are the key properties of 5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 269.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 166316805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).