5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

C22H21N7O3S — CID 66745389

IUPAC5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESNc1ncc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H21N7O3S/c23-20-19(22-27-26-21(32-22)16-7-3-1-4-8-16)25-18(15-24-20)28-11-13-29(14-12-28)33(30,31)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,23,24)
InChIKeyMCYMDQXHUZFUEQ-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.29
Rot. Bonds5

About 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (PubChem CID 66745389) has the molecular formula C22H21N7O3S and a molecular weight of 463.52 g/mol. Its IUPAC name is 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
PubChem CID66745389
Molecular FormulaC22H21N7O3S
Molecular Weight463.52 g/mol
Exact Mass463.14
IUPAC Name5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESNc1ncc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H21N7O3S/c23-20-19(22-27-26-21(32-22)16-7-3-1-4-8-16)25-18(15-24-20)28-11-13-29(14-12-28)33(30,31)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,23,24)
InChIKeyMCYMDQXHUZFUEQ-UHFFFAOYSA-N
XLogP2.29
TPSA131.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 158857920
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen
CID 162006828
2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 162010857
but-2-ynyl 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazine-1-carboxylate
CID 66744705
2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole
CID 123215375
5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
CID 161124180
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen
CID 159144483
[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 161402480
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine
CID 59471915
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline
CID 33370889

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The IUPAC name of 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (CID 66745389) is 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is Nc1ncc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The InChIKey is MCYMDQXHUZFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3S/c23-20-19(22-27-26-21(32-22)16-7-3-1-4-8-16)25-18(15-24-20)28-11-13-29(14-12-28)33(30,31)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,23,24).
What are the key properties of 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine has a molecular weight of 463.52 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 66745389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).