5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole

C18H18BrN3O4S — CID 1457530

IUPAC5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(Br)cc4)C3)n2)o1
InChIInChI=1S/C18H18BrN3O4S/c1-12-4-9-16(25-12)17-20-18(26-21-17)13-3-2-10-22(11-13)27(23,24)15-7-5-14(19)6-8-15/h4-9,13H,2-3,10-11H2,1H3/t13-/m1/s1
InChIKeyCCLPUOWYIFWBOZ-CYBMUJFWSA-N
MW452.33 g/mol
LogP3.97
Rot. Bonds4

About 5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole

5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole (PubChem CID 1457530) has the molecular formula C18H18BrN3O4S and a molecular weight of 452.33 g/mol. Its IUPAC name is 5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
PubChem CID1457530
Molecular FormulaC18H18BrN3O4S
Molecular Weight452.33 g/mol
Exact Mass451.02
IUPAC Name5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(Br)cc4)C3)n2)o1
InChIInChI=1S/C18H18BrN3O4S/c1-12-4-9-16(25-12)17-20-18(26-21-17)13-3-2-10-22(11-13)27(23,24)15-7-5-14(19)6-8-15/h4-9,13H,2-3,10-11H2,1H3/t13-/m1/s1
InChIKeyCCLPUOWYIFWBOZ-CYBMUJFWSA-N
XLogP3.97
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

N-cyclopropyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 3226284
1-[3-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 1457484
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1457470
5-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 3226288
5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 51613793
5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 50799537
5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 45498643
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 92751686
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 51613784
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
1-[4-[4-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 1453713

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole (CID 1457530) is 5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole is Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(Br)cc4)C3)n2)o1.
What is the InChIKey of 5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is CCLPUOWYIFWBOZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18BrN3O4S/c1-12-4-9-16(25-12)17-20-18(26-21-17)13-3-2-10-22(11-13)27(23,24)15-7-5-14(19)6-8-15/h4-9,13H,2-3,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole?
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 452.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 1457530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).