3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate

C115H116Cl6N32O15S2 — CID 160692747

IUPAC3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(=O)NC1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.CCNC(=O)N1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.COC(=O)N1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.CS(=O)(=O)N1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.CS(=O)(=O)NC1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.NC(=O)NC1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C20H21ClN6O2.C20H20ClN5O2.C19H19ClN6O2.C19H20ClN5O3S.C19H18ClN5O3.C18H18ClN5O3S/c1-2-22-20(28)27-11-9-26(10-12-27)18-16(7-4-8-23-18)19-24-17(25-29-19)14-5-3-6-15(21)13-14;1-13(27)23-16-7-10-26(11-8-16)19-17(6-3-9-22-19)20-24-18(25-28-20)14-4-2-5-15(21)12-14;20-13-4-1-3-12(11-13)16-24-18(28-25-16)15-5-2-8-22-17(15)26-9-6-14(7-10-26)23-19(21)27;1-29(26,27)24-15-7-10-25(11-8-15)18-16(6-3-9-21-18)19-22-17(23-28-19)13-4-2-5-14(20)12-13;1-27-19(26)25-10-8-24(9-11-25)17-15(6-3-7-21-17)18-22-16(23-28-18)13-4-2-5-14(20)12-13;1-28(25,26)24-10-8-23(9-11-24)17-15(6-3-7-20-17)18-21-16(22-27-18)13-4-2-5-14(19)12-13/h3-8,13H,2,9-12H2,1H3,(H,22,28);2-6,9,12,16H,7-8,10-11H2,1H3,(H,23,27);1-5,8,11,14H,6-7,9-10H2,(H3,21,23,27);2-6,9,12,15,24H,7-8,10-11H2,1H3;2*2-7,12H,8-11H2,1H3
InChIKeyRPPPFGJJEIQSDF-UHFFFAOYSA-N
MW2463.25 g/mol
LogP18.79
Rot. Bonds24

About 3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate

3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 160692747) has the molecular formula C115H116Cl6N32O15S2 and a molecular weight of 2463.25 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID160692747
Molecular FormulaC115H116Cl6N32O15S2
Molecular Weight2463.25 g/mol
Exact Mass2458.69
IUPAC Name3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(=O)NC1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.CCNC(=O)N1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.COC(=O)N1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.CS(=O)(=O)N1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.CS(=O)(=O)NC1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.NC(=O)NC1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C20H21ClN6O2.C20H20ClN5O2.C19H19ClN6O2.C19H20ClN5O3S.C19H18ClN5O3.C18H18ClN5O3S/c1-2-22-20(28)27-11-9-26(10-12-27)18-16(7-4-8-23-18)19-24-17(25-29-19)14-5-3-6-15(21)13-14;1-13(27)23-16-7-10-26(11-8-16)19-17(6-3-9-22-19)20-24-18(25-28-20)14-4-2-5-15(21)12-14;20-13-4-1-3-12(11-13)16-24-18(28-25-16)15-5-2-8-22-17(15)26-9-6-14(7-10-26)23-19(21)27;1-29(26,27)24-15-7-10-25(11-8-15)18-16(6-3-9-21-18)19-22-17(23-28-19)13-4-2-5-14(20)12-13;1-27-19(26)25-10-8-24(9-11-25)17-15(6-3-7-21-17)18-22-16(23-28-18)13-4-2-5-14(20)12-13;1-28(25,26)24-10-8-23(9-11-24)17-15(6-3-7-20-17)18-21-16(22-27-18)13-4-2-5-14(19)12-13/h3-8,13H,2,9-12H2,1H3,(H,22,28);2-6,9,12,16H,7-8,10-11H2,1H3,(H,23,27);1-5,8,11,14H,6-7,9-10H2,(H3,21,23,27);2-6,9,12,15,24H,7-8,10-11H2,1H3;2*2-7,12H,8-11H2,1H3
InChIKeyRPPPFGJJEIQSDF-UHFFFAOYSA-N
XLogP18.79
TPSA559.95 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms170
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002463.25
LogP ≤ 518.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze 3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of 3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate (CID 160692747) is 3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for 3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate is CC(=O)NC1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.CCNC(=O)N1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.COC(=O)N1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.CS(=O)(=O)N1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.CS(=O)(=O)NC1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.NC(=O)NC1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is RPPPFGJJEIQSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2.C20H20ClN5O2.C19H19ClN6O2.C19H20ClN5O3S.C19H18ClN5O3.C18H18ClN5O3S/c1-2-22-20(28)27-11-9-26(10-12-27)18-16(7-4-8-23-18)19-24-17(25-29-19)14-5-3-6-15(21)13-14;1-13(27)23-16-7-10-26(11-8-16)19-17(6-3-9-22-19)20-24-18(25-28-20)14-4-2-5-15(21)12-14;20-13-4-1-3-12(11-13)16-24-18(28-25-16)15-5-2-8-22-17(15)26-9-6-14(7-10-26)23-19(21)27;1-29(26,27)24-15-7-10-25(11-8-15)18-16(6-3-9-21-18)19-22-17(23-28-19)13-4-2-5-14(20)12-13;1-27-19(26)25-10-8-24(9-11-25)17-15(6-3-7-21-17)18-22-16(23-28-18)13-4-2-5-14(20)12-13;1-28(25,26)24-10-8-23(9-11-24)17-15(6-3-7-20-17)18-21-16(22-27-18)13-4-2-5-14(19)12-13/h3-8,13H,2,9-12H2,1H3,(H,22,28);2-6,9,12,16H,7-8,10-11H2,1H3,(H,23,27);1-5,8,11,14H,6-7,9-10H2,(H3,21,23,27);2-6,9,12,15,24H,7-8,10-11H2,1H3;2*2-7,12H,8-11H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate?
3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 2463.25 g/mol, XLogP of 18.79, 24 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[2-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]urea;methyl 4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 160692747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).