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

C15H15N3O2 — CID 103832711

IUPAC3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESc1ccc2oc(-c3noc([C@H]4CCCCN4)n3)cc2c1
InChIInChI=1S/C15H15N3O2/c1-2-7-12-10(5-1)9-13(19-12)14-17-15(20-18-14)11-6-3-4-8-16-11/h1-2,5,7,9,11,16H,3-4,6,8H2/t11-/m1/s1
InChIKeyMOWIFGLJQJSHMK-LLVKDONJSA-N
MW269.30 g/mol
LogP3.30
Rot. Bonds2

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

3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 103832711) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID103832711
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESc1ccc2oc(-c3noc([C@H]4CCCCN4)n3)cc2c1
InChIInChI=1S/C15H15N3O2/c1-2-7-12-10(5-1)9-13(19-12)14-17-15(20-18-14)11-6-3-4-8-16-11/h1-2,5,7,9,11,16H,3-4,6,8H2/t11-/m1/s1
InChIKeyMOWIFGLJQJSHMK-LLVKDONJSA-N
XLogP3.30
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 ≤ 53.30
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
3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780929
3-naphthalen-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832593
3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900526
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350428
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257
5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317491
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135973873
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole
CID 63219142

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole (CID 103832711) is 3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole is c1ccc2oc(-c3noc([C@H]4CCCCN4)n3)cc2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is MOWIFGLJQJSHMK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-7-12-10(5-1)9-13(19-12)14-17-15(20-18-14)11-6-3-4-8-16-11/h1-2,5,7,9,11,16H,3-4,6,8H2/t11-/m1/s1.
What are the key properties of 3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 269.30 g/mol, XLogP of 3.30, 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)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 103832711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).