1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole

C131H154F4N20O15S2 — CID 159918552

About 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole

1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole (PubChem CID 159918552) has the molecular formula C131H154F4N20O15S2 and a molecular weight of 2388.92 g/mol. Its IUPAC name is 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole
• PubChem CID: 159918552
• Molecular Formula: C131H154F4N20O15S2
• Molecular Weight: 2388.92 g/mol
• Exact Mass: 2387.13
• IUPAC Name: 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole
• SMILES: C#Cc1cccc(C)c1OC.COc1c(C)cccc1-c1ccc(C)nn1.COc1c(C)cccc1-c1ccn(CC(C)(C)O)n1.COc1c(C)cccc1-c1cn[nH]c1.COc1c(C)cccc1-c1cnc(C)s1.COc1c(C)cccc1-c1cnn(CCF)c1.COc1c(C)cccc1-c1ncnn1C.COc1c(C)cccc1-c1nnnn1C.COc1c(C)cccc1C(=O)NCC(F)(F)F.COc1c(C)cccc1C(=O)NCCC(C)(C)O.CSc1c(C)cccc1-c1nnc(C)o1
• InChI: InChI=1S/C15H20N2O2.C14H21NO3.C13H15FN2O.C13H14N2O.C12H13NOS.C11H12F3NO2.C11H13N3O.C11H12N2OS.C11H12N2O.C10H12N4O.C10H10O/c1-11-6-5-7-12(14(11)19-4)13-8-9-17(16-13)10-15(2,3)18;1-10-6-5-7-11(12(10)18-4)13(16)15-9-8-14(2,3)17;1-10-4-3-5-12(13(10)17-2)11-8-15-16(9-11)7-6-14;1-9-5-4-6-11(13(9)16-3)12-8-7-10(2)14-15-12;1-8-5-4-6-10(12(8)14-3)11-7-13-9(2)15-11;1-7-4-3-5-8(9(7)17-2)10(16)15-6-11(12,13)14;1-8-5-4-6-9(10(8)15-3)11-12-7-13-14(11)2;1-7-5-4-6-9(10(7)15-3)11-13-12-8(2)14-11;1-8-4-3-5-10(11(8)14-2)9-6-12-13-7-9;1-7-5-4-6-8(9(7)15-3)10-11-12-13-14(10)2;1-4-9-7-5-6-8(2)10(9)11-3/h5-9,18H,10H2,1-4H3;5-7,17H,8-9H2,1-4H3,(H,15,16);3-5,8-9H,6-7H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3;3-5H,6H2,1-2H3,(H,15,16);4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3,(H,12,13);4-6H,1-3H3;1,5-7H,2-3H3
• InChIKey: NYCICXRRAWETHQ-UHFFFAOYSA-N
• XLogP: 26.32
• TPSA: 407.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2388.92
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole?

The IUPAC name of 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole (CID 159918552) is 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole.

What is the SMILES notation for 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole?

The canonical SMILES for 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole is C#Cc1cccc(C)c1OC.COc1c(C)cccc1-c1ccc(C)nn1.COc1c(C)cccc1-c1ccn(CC(C)(C)O)n1.COc1c(C)cccc1-c1cn[nH]c1.COc1c(C)cccc1-c1cnc(C)s1.COc1c(C)cccc1-c1cnn(CCF)c1.COc1c(C)cccc1-c1ncnn1C.COc1c(C)cccc1-c1nnnn1C.COc1c(C)cccc1C(=O)NCC(F)(F)F.COc1c(C)cccc1C(=O)NCCC(C)(C)O.CSc1c(C)cccc1-c1nnc(C)o1.

What is the InChIKey of 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole?

The InChIKey is NYCICXRRAWETHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.C14H21NO3.C13H15FN2O.C13H14N2O.C12H13NOS.C11H12F3NO2.C11H13N3O.C11H12N2OS.C11H12N2O.C10H12N4O.C10H10O/c1-11-6-5-7-12(14(11)19-4)13-8-9-17(16-13)10-15(2,3)18;1-10-6-5-7-11(12(10)18-4)13(16)15-9-8-14(2,3)17;1-10-4-3-5-12(13(10)17-2)11-8-15-16(9-11)7-6-14;1-9-5-4-6-11(13(9)16-3)12-8-7-10(2)14-15-12;1-8-5-4-6-10(12(8)14-3)11-7-13-9(2)15-11;1-7-4-3-5-8(9(7)17-2)10(16)15-6-11(12,13)14;1-8-5-4-6-9(10(8)15-3)11-12-7-13-14(11)2;1-7-5-4-6-9(10(7)15-3)11-13-12-8(2)14-11;1-8-4-3-5-10(11(8)14-2)9-6-12-13-7-9;1-7-5-4-6-8(9(7)15-3)10-11-12-13-14(10)2;1-4-9-7-5-6-8(2)10(9)11-3/h5-9,18H,10H2,1-4H3;5-7,17H,8-9H2,1-4H3,(H,15,16);3-5,8-9H,6-7H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3;3-5H,6H2,1-2H3,(H,15,16);4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3,(H,12,13);4-6H,1-3H3;1,5-7H,2-3H3.

What are the key properties of 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole?

1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole has a molecular weight of 2388.92 g/mol, XLogP of 26.32, 29 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 159918552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).