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

C11H13N3O2 — CID 104900839

IUPAC3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1ccoc1-c1noc([C@@H]2CCCN2)n1
InChIInChI=1S/C11H13N3O2/c1-7-4-6-15-9(7)10-13-11(16-14-10)8-3-2-5-12-8/h4,6,8,12H,2-3,5H2,1H3/t8-/m0/s1
InChIKeyLZUHZICLPPEORS-QMMMGPOBSA-N
MW219.24 g/mol
LogP2.06
Rot. Bonds2

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

3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104900839) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID104900839
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1ccoc1-c1noc([C@@H]2CCCN2)n1
InChIInChI=1S/C11H13N3O2/c1-7-4-6-15-9(7)10-13-11(16-14-10)8-3-2-5-12-8/h4,6,8,12H,2-3,5H2,1H3/t8-/m0/s1
InChIKeyLZUHZICLPPEORS-QMMMGPOBSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 113453222
2,6-dimethyl-4-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136746254
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 102894808
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
3-(4-bromo-2-methylphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103083276
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
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(3,5-dimethyl-2-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 113365456
3-(4-methoxy-3,5-dimethylphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 82626027
2,6-dimethyl-4-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136854683
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 43627431

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 104900839) is 3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole is Cc1ccoc1-c1noc([C@@H]2CCCN2)n1.
What is the InChIKey of 3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is LZUHZICLPPEORS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-4-6-15-9(7)10-13-11(16-14-10)8-3-2-5-12-8/h4,6,8,12H,2-3,5H2,1H3/t8-/m0/s1.
What are the key properties of 3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 219.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104900839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).