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

C14H13N3O2 — CID 95012274

IUPAC3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESc1ccc2oc(-c3noc([C@H]4CCCN4)n3)cc2c1
InChIInChI=1S/C14H13N3O2/c1-2-6-11-9(4-1)8-12(18-11)13-16-14(19-17-13)10-5-3-7-15-10/h1-2,4,6,8,10,15H,3,5,7H2/t10-/m1/s1
InChIKeyNWTHKQLCOOMRFB-SNVBAGLBSA-N
MW255.28 g/mol
LogP2.91
Rot. Bonds2

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

3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 95012274) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID95012274
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESc1ccc2oc(-c3noc([C@H]4CCCN4)n3)cc2c1
InChIInChI=1S/C14H13N3O2/c1-2-6-11-9(4-1)8-12(18-11)13-16-14(19-17-13)10-5-3-7-15-10/h1-2,4,6,8,10,15H,3,5,7H2/t10-/m1/s1
InChIKeyNWTHKQLCOOMRFB-SNVBAGLBSA-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)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832711
3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900526
3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780929
5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317491
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350428
5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole
CID 63219142
3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900764
3-naphthalen-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832593
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
2,6-dimethyl-4-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136746254

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 95012274) is 3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is c1ccc2oc(-c3noc([C@H]4CCCN4)n3)cc2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is NWTHKQLCOOMRFB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-6-11-9(4-1)8-12(18-11)13-16-14(19-17-13)10-5-3-7-15-10/h1-2,4,6,8,10,15H,3,5,7H2/t10-/m1/s1.
What are the key properties of 3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(1-benzofuran-2-yl)-5-[(2R)-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 3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95012274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).