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

C15H19N3O3 — CID 95733041

IUPAC3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(OC)c(-c2noc([C@H]3CCCNC3)n2)c1
InChIInChI=1S/C15H19N3O3/c1-19-11-5-6-13(20-2)12(8-11)14-17-15(21-18-14)10-4-3-7-16-9-10/h5-6,8,10,16H,3-4,7,9H2,1-2H3/t10-/m0/s1
InChIKeyFODHHHIKLGFIEK-JTQLQIEISA-N
MW289.33 g/mol
LogP2.22
Rot. Bonds4

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

3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 95733041) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID95733041
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(OC)c(-c2noc([C@H]3CCCNC3)n2)c1
InChIInChI=1S/C15H19N3O3/c1-19-11-5-6-13(20-2)12(8-11)14-17-15(21-18-14)10-4-3-7-16-9-10/h5-6,8,10,16H,3-4,7,9H2,1-2H3/t10-/m0/s1
InChIKeyFODHHHIKLGFIEK-JTQLQIEISA-N
XLogP2.22
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43625533
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62539832
5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 165475619
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530
5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026122
3-(3-methoxyphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120841699
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
3-(4-methyl-3-pyridinyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104982341
3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 68927912
3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624437

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 95733041) is 3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is COc1ccc(OC)c(-c2noc([C@H]3CCCNC3)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is FODHHHIKLGFIEK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-11-5-6-13(20-2)12(8-11)14-17-15(21-18-14)10-4-3-7-16-9-10/h5-6,8,10,16H,3-4,7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 289.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95733041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).