1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene

C102H152N20O13S — CID 158703540

About 1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene

1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene (PubChem CID 158703540) has the molecular formula C102H152N20O13S and a molecular weight of 1898.53 g/mol. Its IUPAC name is 1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene
• PubChem CID: 158703540
• Molecular Formula: C102H152N20O13S
• Molecular Weight: 1898.53 g/mol
• Exact Mass: 1897.16
• IUPAC Name: 1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene
• SMILES: CC(C)C1CCCO1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCNCC1.CC(C)c1cccs1.CC(C)c1nnc(CO)o1.CC(C)c1noc(-c2ccccn2)n1.CC(C)n1ccnc1.COc1ccc(-c2nc(C(C)C)no2)nc1.COc1ccc(C(C)C)cc1.COc1cccnc1-c1nc(C(C)C)no1.COc1ccnc(-c2nc(C(C)C)no2)c1.Cc1ccc(C(C)C)o1
• InChI: InChI=1S/3C11H13N3O2.C10H11N3O.C10H14O.C8H16N2O.C8H12O.C7H16N2.C7H14O.C7H10S.C6H10N2O2.C6H10N2/c1-7(2)10-13-11(16-14-10)9-6-8(15-3)4-5-12-9;1-7(2)10-13-11(16-14-10)9-5-4-8(15-3)6-12-9;1-7(2)10-13-11(16-14-10)9-8(15-3)5-4-6-12-9;1-7(2)9-12-10(14-13-9)8-5-3-4-6-11-8;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)10-5-4-9(3)8(11)6-10;1-6(2)8-5-4-7(3)9-8;1-7(2)9-5-3-8-4-6-9;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3-9)10-6;1-6(2)8-4-3-7-5-8/h3*4-7H,1-3H3;3-7H,1-2H3;4-8H,1-3H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;4,9H,3H2,1-2H3;3-6H,1-2H3
• InChIKey: IHVLIFNZWSDMOX-UHFFFAOYSA-N
• XLogP: 21.89
• TPSA: 382.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.53
LogP ≤ 5	21.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene?

The IUPAC name of 1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene (CID 158703540) is 1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene.

What is the SMILES notation for 1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene?

The canonical SMILES for 1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene is CC(C)C1CCCO1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCNCC1.CC(C)c1cccs1.CC(C)c1nnc(CO)o1.CC(C)c1noc(-c2ccccn2)n1.CC(C)n1ccnc1.COc1ccc(-c2nc(C(C)C)no2)nc1.COc1ccc(C(C)C)cc1.COc1cccnc1-c1nc(C(C)C)no1.COc1ccnc(-c2nc(C(C)C)no2)c1.Cc1ccc(C(C)C)o1.

What is the InChIKey of 1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene?

The InChIKey is IHVLIFNZWSDMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H13N3O2.C10H11N3O.C10H14O.C8H16N2O.C8H12O.C7H16N2.C7H14O.C7H10S.C6H10N2O2.C6H10N2/c1-7(2)10-13-11(16-14-10)9-6-8(15-3)4-5-12-9;1-7(2)10-13-11(16-14-10)9-5-4-8(15-3)6-12-9;1-7(2)10-13-11(16-14-10)9-8(15-3)5-4-6-12-9;1-7(2)9-12-10(14-13-9)8-5-3-4-6-11-8;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)10-5-4-9(3)8(11)6-10;1-6(2)8-5-4-7(3)9-8;1-7(2)9-5-3-8-4-6-9;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3-9)10-6;1-6(2)8-4-3-7-5-8/h3*4-7H,1-3H3;3-7H,1-2H3;4-8H,1-3H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;4,9H,3H2,1-2H3;3-6H,1-2H3.

What are the key properties of 1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene?

1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene has a molecular weight of 1898.53 g/mol, XLogP of 21.89, 21 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methoxy-4-propan-2-ylbenzene;5-(3-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(5-methoxy-2-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylimidazole;(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol;2-propan-2-yloxolane;1-propan-2-ylpiperazine;3-propan-2-yl-5-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 158703540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).