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

C14H13N3O2 — CID 63317491

IUPAC5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESc1ccc2oc(-c3nc(C4CCCN4)no3)cc2c1
InChIInChI=1S/C14H13N3O2/c1-2-6-11-9(4-1)8-12(18-11)14-16-13(17-19-14)10-5-3-7-15-10/h1-2,4,6,8,10,15H,3,5,7H2
InChIKeyATPXHBMIYMICCF-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.91
Rot. Bonds2

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

5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 63317491) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID63317491
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESc1ccc2oc(-c3nc(C4CCCN4)no3)cc2c1
InChIInChI=1S/C14H13N3O2/c1-2-6-11-9(4-1)8-12(18-11)14-16-13(17-19-14)10-5-3-7-15-10/h1-2,4,6,8,10,15H,3,5,7H2
InChIKeyATPXHBMIYMICCF-UHFFFAOYSA-N
XLogP2.91
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95012274
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832711
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
5-[2-(difluoromethoxy)phenyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317222
3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 138691157
5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317314
5-(3-chloro-2-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81262903
5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104879912
3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 63317724
3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 136920524

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 63317491) is 5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is c1ccc2oc(-c3nc(C4CCCN4)no3)cc2c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is ATPXHBMIYMICCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-6-11-9(4-1)8-12(18-11)14-16-13(17-19-14)10-5-3-7-15-10/h1-2,4,6,8,10,15H,3,5,7H2.
What are the key properties of 5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 255.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63317491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).