2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole

C131H169N23O13 — CID 163776120

IUPAC2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCOc1cc(-c2nc(C(C)C)no2)ccc1C.COc1cc(-c2nc(C3CCN(C(C)C)CC3)no2)ccc1C.COc1cc(-c2nnc(C(C)C)o2)ccc1C.COc1cc(-c2nnc(C3CCN(C(C)C)CC3)o2)ccc1C.Cc1ccc(-c2nc(C(C)C)no2)cc1.Cc1ccc(-c2nc(C3CCN(C(C)C)CC3)no2)cc1.Cc1ccc(-c2nnc(C(C)C)o2)cc1.Cc1ccc(-c2nnc(C(C)C)o2)cn1.Cc1ccc(-c2nnc(C3CCN(C(C)C)CC3)o2)cc1
InChIInChI=1S/2C18H25N3O2.2C17H23N3O.2C13H16N2O2.2C12H14N2O.C11H13N3O/c1-12(2)21-9-7-14(8-10-21)17-19-20-18(23-17)15-6-5-13(3)16(11-15)22-4;1-12(2)21-9-7-14(8-10-21)17-19-18(23-20-17)15-6-5-13(3)16(11-15)22-4;1-12(2)20-10-8-14(9-11-20)16-18-17(21-19-16)15-6-4-13(3)5-7-15;1-12(2)20-10-8-15(9-11-20)17-19-18-16(21-17)14-6-4-13(3)5-7-14;1-8(2)12-14-15-13(17-12)10-6-5-9(3)11(7-10)16-4;1-8(2)12-14-13(17-15-12)10-6-5-9(3)11(7-10)16-4;1-8(2)11-13-14-12(15-11)10-6-4-9(3)5-7-10;1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-7(2)10-13-14-11(15-10)9-5-4-8(3)12-6-9/h2*5-6,11-12,14H,7-10H2,1-4H3;4-7,12,14H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;2*5-8H,1-4H3;2*4-8H,1-3H3;4-7H,1-3H3
InChIKeyMKQDTWFXBXWRQP-UHFFFAOYSA-N
MW2273.94 g/mol
LogP29.80
Rot. Bonds26

About 2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole

2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 163776120) has the molecular formula C131H169N23O13 and a molecular weight of 2273.94 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID163776120
Molecular FormulaC131H169N23O13
Molecular Weight2273.94 g/mol
Exact Mass2272.33
IUPAC Name2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCOc1cc(-c2nc(C(C)C)no2)ccc1C.COc1cc(-c2nc(C3CCN(C(C)C)CC3)no2)ccc1C.COc1cc(-c2nnc(C(C)C)o2)ccc1C.COc1cc(-c2nnc(C3CCN(C(C)C)CC3)o2)ccc1C.Cc1ccc(-c2nc(C(C)C)no2)cc1.Cc1ccc(-c2nc(C3CCN(C(C)C)CC3)no2)cc1.Cc1ccc(-c2nnc(C(C)C)o2)cc1.Cc1ccc(-c2nnc(C(C)C)o2)cn1.Cc1ccc(-c2nnc(C3CCN(C(C)C)CC3)o2)cc1
InChIInChI=1S/2C18H25N3O2.2C17H23N3O.2C13H16N2O2.2C12H14N2O.C11H13N3O/c1-12(2)21-9-7-14(8-10-21)17-19-20-18(23-17)15-6-5-13(3)16(11-15)22-4;1-12(2)21-9-7-14(8-10-21)17-19-18(23-20-17)15-6-5-13(3)16(11-15)22-4;1-12(2)20-10-8-14(9-11-20)16-18-17(21-19-16)15-6-4-13(3)5-7-15;1-12(2)20-10-8-15(9-11-20)17-19-18-16(21-17)14-6-4-13(3)5-7-14;1-8(2)12-14-15-13(17-12)10-6-5-9(3)11(7-10)16-4;1-8(2)12-14-13(17-15-12)10-6-5-9(3)11(7-10)16-4;1-8(2)11-13-14-12(15-11)10-6-4-9(3)5-7-10;1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-7(2)10-13-14-11(15-10)9-5-4-8(3)12-6-9/h2*5-6,11-12,14H,7-10H2,1-4H3;4-7,12,14H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;2*5-8H,1-4H3;2*4-8H,1-3H3;4-7H,1-3H3
InChIKeyMKQDTWFXBXWRQP-UHFFFAOYSA-N
XLogP29.80
TPSA413.05 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002273.94
LogP ≤ 529.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole (CID 163776120) is 2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole is COc1cc(-c2nc(C(C)C)no2)ccc1C.COc1cc(-c2nc(C3CCN(C(C)C)CC3)no2)ccc1C.COc1cc(-c2nnc(C(C)C)o2)ccc1C.COc1cc(-c2nnc(C3CCN(C(C)C)CC3)o2)ccc1C.Cc1ccc(-c2nc(C(C)C)no2)cc1.Cc1ccc(-c2nc(C3CCN(C(C)C)CC3)no2)cc1.Cc1ccc(-c2nnc(C(C)C)o2)cc1.Cc1ccc(-c2nnc(C(C)C)o2)cn1.Cc1ccc(-c2nnc(C3CCN(C(C)C)CC3)o2)cc1.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is MKQDTWFXBXWRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H25N3O2.2C17H23N3O.2C13H16N2O2.2C12H14N2O.C11H13N3O/c1-12(2)21-9-7-14(8-10-21)17-19-20-18(23-17)15-6-5-13(3)16(11-15)22-4;1-12(2)21-9-7-14(8-10-21)17-19-18(23-20-17)15-6-5-13(3)16(11-15)22-4;1-12(2)20-10-8-14(9-11-20)16-18-17(21-19-16)15-6-4-13(3)5-7-15;1-12(2)20-10-8-15(9-11-20)17-19-18-16(21-17)14-6-4-13(3)5-7-14;1-8(2)12-14-15-13(17-12)10-6-5-9(3)11(7-10)16-4;1-8(2)12-14-13(17-15-12)10-6-5-9(3)11(7-10)16-4;1-8(2)11-13-14-12(15-11)10-6-4-9(3)5-7-10;1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-7(2)10-13-14-11(15-10)9-5-4-8(3)12-6-9/h2*5-6,11-12,14H,7-10H2,1-4H3;4-7,12,14H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;2*5-8H,1-4H3;2*4-8H,1-3H3;4-7H,1-3H3.
What are the key properties of 2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 2273.94 g/mol, XLogP of 29.80, 26 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-oxadiazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(4-methylphenyl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole;5-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 163776120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).