3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene

C154H243N7O4S2 — CID 158788024

About 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene

3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 158788024) has the molecular formula C154H243N7O4S2 and a molecular weight of 2320.82 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene
• PubChem CID: 158788024
• Molecular Formula: C154H243N7O4S2
• Molecular Weight: 2320.82 g/mol
• Exact Mass: 2318.85
• IUPAC Name: 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene
• SMILES: C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(C)cc1.Cc1ccc2c(c1)C(C)(C)CCC2(C)C.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCC2=O.Cc1ccc2c(c1)OCO2.Cc1ccc2c3c1CCCN3CCC2.Cc1ccc2ccccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2scnc2c1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1csc(C)n1.Cc1noc(C)n1.c1ccncc1
• InChI: InChI=1S/C15H22.C13H17N.C11H12O.C11H14.C11H10.C10H9N.C8H7NS.C8H8O2.3C8H10.C5H7NS.C5H5N.C4H6N2O.10C2H6.9CH4/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;1-10-6-7-11-4-2-8-14-9-3-5-12(10)13(11)14;1-8-5-6-10-9(7-8)3-2-4-11(10)12;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-4-3-7-5(2)6-4;1-2-4-6-5-3-1;1-3-5-4(2)7-6-3;10*1-2;;;;;;;;;/h6-7,10H,8-9H2,1-5H3;6-7H,2-5,8-9H2,1H3;5-7H,2-4H2,1H3;6-8H,2-5H2,1H3;2-8H,1H3;2-7H,1H3;2-5H,1H3;2-4H,5H2,1H3;3*3-6H,1-2H3;3H,1-2H3;1-5H;1-2H3;10*1-2H3;9*1H4
• InChIKey: IRXSNBYDEOZYJD-UHFFFAOYSA-N
• XLogP: 48.87
• TPSA: 129.25 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2320.82
LogP ≤ 5	48.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene?

The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene (CID 158788024) is 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene.

What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene?

The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene is C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(C)cc1.Cc1ccc2c(c1)C(C)(C)CCC2(C)C.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCC2=O.Cc1ccc2c(c1)OCO2.Cc1ccc2c3c1CCCN3CCC2.Cc1ccc2ccccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2scnc2c1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1csc(C)n1.Cc1noc(C)n1.c1ccncc1.

What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene?

The InChIKey is IRXSNBYDEOZYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.C13H17N.C11H12O.C11H14.C11H10.C10H9N.C8H7NS.C8H8O2.3C8H10.C5H7NS.C5H5N.C4H6N2O.10C2H6.9CH4/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;1-10-6-7-11-4-2-8-14-9-3-5-12(10)13(11)14;1-8-5-6-10-9(7-8)3-2-4-11(10)12;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-4-3-7-5(2)6-4;1-2-4-6-5-3-1;1-3-5-4(2)7-6-3;10*1-2;;;;;;;;;/h6-7,10H,8-9H2,1-5H3;6-7H,2-5,8-9H2,1H3;5-7H,2-4H2,1H3;6-8H,2-5H2,1H3;2-8H,1H3;2-7H,1H3;2-5H,1H3;2-4H,5H2,1H3;3*3-6H,1-2H3;3H,1-2H3;1-5H;1-2H3;10*1-2H3;9*1H4.

What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene?

3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 2320.82 g/mol, XLogP of 48.87, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylnaphthalene;6-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 158788024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).