2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole

C19H20N4O3S — CID 4824593

IUPAC2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H20N4O3S/c24-27(25,17-9-5-2-6-10-17)23-13-11-22(12-14-23)15-18-20-21-19(26-18)16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyPRANAEPYMRURQL-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.24
Rot. Bonds5

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

2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 4824593) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID4824593
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H20N4O3S/c24-27(25,17-9-5-2-6-10-17)23-13-11-22(12-14-23)15-18-20-21-19(26-18)16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyPRANAEPYMRURQL-UHFFFAOYSA-N
XLogP2.24
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole (CID 4824593) is 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole is O=S(=O)(c1ccccc1)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is PRANAEPYMRURQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-27(25,17-9-5-2-6-10-17)23-13-11-22(12-14-23)15-18-20-21-19(26-18)16-7-3-1-4-8-16/h1-10H,11-15H2.
What are the key properties of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 384.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 4824593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).