3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole

C11H13N3O2 — CID 104914944

IUPAC3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESc1cc(-c2noc([C@@H]3CCCCN3)n2)co1
InChIInChI=1S/C11H13N3O2/c1-2-5-12-9(3-1)11-13-10(14-16-11)8-4-6-15-7-8/h4,6-7,9,12H,1-3,5H2/t9-/m0/s1
InChIKeyREUQKLQMLCRHMS-VIFPVBQESA-N
MW219.24 g/mol
LogP2.14
Rot. Bonds2

About 3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole

3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104914944) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID104914944
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESc1cc(-c2noc([C@@H]3CCCCN3)n2)co1
InChIInChI=1S/C11H13N3O2/c1-2-5-12-9(3-1)11-13-10(14-16-11)8-4-6-15-7-8/h4,6-7,9,12H,1-3,5H2/t9-/m0/s1
InChIKeyREUQKLQMLCRHMS-VIFPVBQESA-N
XLogP2.14
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135973873
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
5-(4-ethylpiperidin-2-yl)-3-(furan-3-yl)-1,2,4-oxadiazole
CID 114429916
3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832492
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(furan-3-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780947
5-[(2S)-piperidin-2-yl]-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
CID 103832702
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257
2,6-dimethyl-4-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136854683
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (CID 104914944) is 3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is c1cc(-c2noc([C@@H]3CCCCN3)n2)co1.
What is the InChIKey of 3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is REUQKLQMLCRHMS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-5-12-9(3-1)11-13-10(14-16-11)8-4-6-15-7-8/h4,6-7,9,12H,1-3,5H2/t9-/m0/s1.
What are the key properties of 3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 219.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104914944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).