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

C18H20N4O5S — CID 53175750

IUPAC2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3nnc(C)o3)co2)CC1
InChIInChI=1S/C18H20N4O5S/c1-13-19-20-18(27-13)14-11-17(26-12-14)28(23,24)22-9-7-21(8-10-22)15-5-3-4-6-16(15)25-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyNOINUKKKIZQVON-UHFFFAOYSA-N
MW404.45 g/mol
LogP2.16
Rot. Bonds5

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

2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 53175750) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID53175750
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC Name2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3nnc(C)o3)co2)CC1
InChIInChI=1S/C18H20N4O5S/c1-13-19-20-18(27-13)14-11-17(26-12-14)28(23,24)22-9-7-21(8-10-22)15-5-3-4-6-16(15)25-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyNOINUKKKIZQVON-UHFFFAOYSA-N
XLogP2.16
TPSA101.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175752
2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175761
2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 53175822
2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175447
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175769
4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine
CID 56731158
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole (CID 53175750) is 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole is COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3nnc(C)o3)co2)CC1.
What is the InChIKey of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is NOINUKKKIZQVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S/c1-13-19-20-18(27-13)14-11-17(26-12-14)28(23,24)22-9-7-21(8-10-22)15-5-3-4-6-16(15)25-2/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole?
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 404.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 53175750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).