2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole

C17H23N3O4S — CID 126456821

IUPAC2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(C3CCN(S(=O)(=O)C(C)C)CC3)o2)cc1
InChIInChI=1S/C17H23N3O4S/c1-12(2)25(21,22)20-10-8-14(9-11-20)17-19-18-16(24-17)13-4-6-15(23-3)7-5-13/h4-7,12,14H,8-11H2,1-3H3
InChIKeyTVQGNHXVZMLYBG-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.66
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole (PubChem CID 126456821) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
PubChem CID126456821
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(C3CCN(S(=O)(=O)C(C)C)CC3)o2)cc1
InChIInChI=1S/C17H23N3O4S/c1-12(2)25(21,22)20-10-8-14(9-11-20)17-19-18-16(24-17)13-4-6-15(23-3)7-5-13/h4-7,12,14H,8-11H2,1-3H3
InChIKeyTVQGNHXVZMLYBG-UHFFFAOYSA-N
XLogP2.66
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137795
1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99963493
2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 51137796
1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99964095
2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308679
1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963379
1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963903
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 99963344
cyclopropyl-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99964099
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 90543078
2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92596398

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole (CID 126456821) is 2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(C3CCN(S(=O)(=O)C(C)C)CC3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole?
The InChIKey is TVQGNHXVZMLYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12(2)25(21,22)20-10-8-14(9-11-20)17-19-18-16(24-17)13-4-6-15(23-3)7-5-13/h4-7,12,14H,8-11H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole has a molecular weight of 365.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 126456821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).