2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole

C18H20N4O4S — CID 53175447

IUPAC2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4C)CC3)o2)o1
InChIInChI=1S/C18H20N4O4S/c1-13-5-3-4-6-15(13)21-9-11-22(12-10-21)27(23,24)17-8-7-16(26-17)18-20-19-14(2)25-18/h3-8H,9-12H2,1-2H3
InChIKeyFGYDXTVFPHIURM-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.46
Rot. Bonds4

About 2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole

2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole (PubChem CID 53175447) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
PubChem CID53175447
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4C)CC3)o2)o1
InChIInChI=1S/C18H20N4O4S/c1-13-5-3-4-6-15(13)21-9-11-22(12-10-21)27(23,24)17-8-7-16(26-17)18-20-19-14(2)25-18/h3-8H,9-12H2,1-2H3
InChIKeyFGYDXTVFPHIURM-UHFFFAOYSA-N
XLogP2.46
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53154887
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175750
2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175610
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole
CID 53175552
1-ethylsulfonyl-4-(2-methylphenyl)piperazine
CID 6468889
5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylfuran-2-sulfonamide
CID 53175453
2-(5-piperidin-1-ylsulfonylfuran-2-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 53175553
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 53175550
4-[4-(2-methylphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 6733568
2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175715

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole (CID 53175447) is 2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole is Cc1nnc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4C)CC3)o2)o1.
What is the InChIKey of 2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole?
The InChIKey is FGYDXTVFPHIURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-13-5-3-4-6-15(13)21-9-11-22(12-10-21)27(23,24)17-8-7-16(26-17)18-20-19-14(2)25-18/h3-8H,9-12H2,1-2H3.
What are the key properties of 2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole?
2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole has a molecular weight of 388.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53175447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).