methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole

C76H122N22O6 — CID 163532015

IUPACmethane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole
SMILESC.C.C.C.COc1cc(-c2nc(N3CCC(N4CCN(C(C)C)CC4)CC3)no2)cnc1C.COc1cc(-c2nc(N3CCN(C(C)C)CC3)no2)cnc1C.Cc1ccc(-c2nc(N3CCC(N4CCN(C(C)C)CC4)CC3)no2)cn1.Cc1ccc(-c2nc(N3CCN(C(C)C)CC3)no2)cn1
InChIInChI=1S/C21H32N6O2.C20H30N6O.C16H23N5O2.C15H21N5O.4CH4/c1-15(2)25-9-11-26(12-10-25)18-5-7-27(8-6-18)21-23-20(29-24-21)17-13-19(28-4)16(3)22-14-17;1-15(2)24-10-12-25(13-11-24)18-6-8-26(9-7-18)20-22-19(27-23-20)17-5-4-16(3)21-14-17;1-11(2)20-5-7-21(8-6-20)16-18-15(23-19-16)13-9-14(22-4)12(3)17-10-13;1-11(2)19-6-8-20(9-7-19)15-17-14(21-18-15)13-5-4-12(3)16-10-13;;;;/h13-15,18H,5-12H2,1-4H3;4-5,14-15,18H,6-13H2,1-3H3;9-11H,5-8H2,1-4H3;4-5,10-11H,6-9H2,1-3H3;4*1H4
InChIKeyDTUFYKCGNLFVER-UHFFFAOYSA-N
MW1439.96 g/mol
LogP11.37
Rot. Bonds16

About methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole

methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 163532015) has the molecular formula C76H122N22O6 and a molecular weight of 1439.96 g/mol. Its IUPAC name is methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Namemethane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID163532015
Molecular FormulaC76H122N22O6
Molecular Weight1439.96 g/mol
Exact Mass1438.99
IUPAC Namemethane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole
SMILESC.C.C.C.COc1cc(-c2nc(N3CCC(N4CCN(C(C)C)CC4)CC3)no2)cnc1C.COc1cc(-c2nc(N3CCN(C(C)C)CC3)no2)cnc1C.Cc1ccc(-c2nc(N3CCC(N4CCN(C(C)C)CC4)CC3)no2)cn1.Cc1ccc(-c2nc(N3CCN(C(C)C)CC3)no2)cn1
InChIInChI=1S/C21H32N6O2.C20H30N6O.C16H23N5O2.C15H21N5O.4CH4/c1-15(2)25-9-11-26(12-10-25)18-5-7-27(8-6-18)21-23-20(29-24-21)17-13-19(28-4)16(3)22-14-17;1-15(2)24-10-12-25(13-11-24)18-6-8-26(9-7-18)20-22-19(27-23-20)17-5-4-16(3)21-14-17;1-11(2)20-5-7-21(8-6-20)16-18-15(23-19-16)13-9-14(22-4)12(3)17-10-13;1-11(2)19-6-8-20(9-7-19)15-17-14(21-18-15)13-5-4-12(3)16-10-13;;;;/h13-15,18H,5-12H2,1-4H3;4-5,14-15,18H,6-13H2,1-3H3;9-11H,5-8H2,1-4H3;4-5,10-11H,6-9H2,1-3H3;4*1H4
InChIKeyDTUFYKCGNLFVER-UHFFFAOYSA-N
XLogP11.37
TPSA258.10 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001439.96
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole (CID 163532015) is methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole is C.C.C.C.COc1cc(-c2nc(N3CCC(N4CCN(C(C)C)CC4)CC3)no2)cnc1C.COc1cc(-c2nc(N3CCN(C(C)C)CC3)no2)cnc1C.Cc1ccc(-c2nc(N3CCC(N4CCN(C(C)C)CC4)CC3)no2)cn1.Cc1ccc(-c2nc(N3CCN(C(C)C)CC3)no2)cn1.
What is the InChIKey of methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is DTUFYKCGNLFVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2.C20H30N6O.C16H23N5O2.C15H21N5O.4CH4/c1-15(2)25-9-11-26(12-10-25)18-5-7-27(8-6-18)21-23-20(29-24-21)17-13-19(28-4)16(3)22-14-17;1-15(2)24-10-12-25(13-11-24)18-6-8-26(9-7-18)20-22-19(27-23-20)17-5-4-16(3)21-14-17;1-11(2)20-5-7-21(8-6-20)16-18-15(23-19-16)13-9-14(22-4)12(3)17-10-13;1-11(2)19-6-8-20(9-7-19)15-17-14(21-18-15)13-5-4-12(3)16-10-13;;;;/h13-15,18H,5-12H2,1-4H3;4-5,14-15,18H,6-13H2,1-3H3;9-11H,5-8H2,1-4H3;4-5,10-11H,6-9H2,1-3H3;4*1H4.
What are the key properties of methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole?
methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 1439.96 g/mol, XLogP of 11.37, 16 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-(5-methoxy-6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(5-methoxy-6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 163532015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).