1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole

C138H166F4N18O6S2 — CID 158933644

About 1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole

1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole (PubChem CID 158933644) has the molecular formula C138H166F4N18O6S2 and a molecular weight of 2313.09 g/mol. Its IUPAC name is 1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole
• PubChem CID: 158933644
• Molecular Formula: C138H166F4N18O6S2
• Molecular Weight: 2313.09 g/mol
• Exact Mass: 2311.26
• IUPAC Name: 1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole
• SMILES: C/C=C/COC.C/C=C/c1cccc(OC)c1.CC1=CCCCC1.CC=CCCCC.COc1ccc(C)nc1.Cc1ccc(-c2ccon2)cc1.Cc1ccc(-c2nccs2)cc1.Cc1ccc(-c2ncno2)cc1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(-n2ccnc2)cc1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C)nc1.Cc1ccc(F)cn1.Cc1ccccn1.Cc1ccsc1.Cc1cnn(C)c1.Cc1cnn(Cc2ccccc2)c1.Cc1noc(C)c1C
• InChI: InChI=1S/C11H12N2.2C10H10N2.C10H9NO.C10H9NS.C10H12O.C9H8N2O.C7H6F3N.C7H9NO.C7H9N.C7H12.C7H14.C6H6FN.C6H9NO.C6H7N.C5H8N2.C5H10O.C5H6S/c1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-8-2-4-9(5-3-8)10-6-7-12-11-10;1-8-2-4-9(5-3-8)10-11-6-7-12-10;1-3-5-9-6-4-7-10(8-9)11-2;1-7-2-4-8(5-3-7)9-10-6-11-12-9;1-5-2-3-6(4-11-5)7(8,9)10;1-6-3-4-7(9-2)5-8-6;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-5-2-3-6(7)4-8-5;1-4-5(2)7-8-6(4)3;1-6-4-2-3-5-7-6;1-5-3-6-7(2)4-5;1-3-4-5-6-2;1-5-2-3-6-4-5/h2-8H,9H2,1H3;2*2-8H,1H3;2*2-7H,1H3;3-8H,1-2H3;2-6H,1H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;5H,2-4,6H2,1H3;3,5H,4,6-7H2,1-2H3;2-4H,1H3;1-3H3;2-5H,1H3;3-4H,1-2H3;3-4H,5H2,1-2H3;2-4H,1H3/b;;;;;5-3+;;;;;;;;;;;4-3+
• InChIKey: JJJMCCRJOPCNAY-NXEYPGOHSA-N
• XLogP: 36.42
• TPSA: 267.29 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2313.09
LogP ≤ 5	36.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole?

The IUPAC name of 1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole (CID 158933644) is 1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole.

What is the SMILES notation for 1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole?

The canonical SMILES for 1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole is C/C=C/COC.C/C=C/c1cccc(OC)c1.CC1=CCCCC1.CC=CCCCC.COc1ccc(C)nc1.Cc1ccc(-c2ccon2)cc1.Cc1ccc(-c2nccs2)cc1.Cc1ccc(-c2ncno2)cc1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(-n2ccnc2)cc1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C)nc1.Cc1ccc(F)cn1.Cc1ccccn1.Cc1ccsc1.Cc1cnn(C)c1.Cc1cnn(Cc2ccccc2)c1.Cc1noc(C)c1C.

What is the InChIKey of 1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole?

The InChIKey is JJJMCCRJOPCNAY-NXEYPGOHSA-N. The full InChI is InChI=1S/C11H12N2.2C10H10N2.C10H9NO.C10H9NS.C10H12O.C9H8N2O.C7H6F3N.C7H9NO.C7H9N.C7H12.C7H14.C6H6FN.C6H9NO.C6H7N.C5H8N2.C5H10O.C5H6S/c1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-8-2-4-9(5-3-8)10-6-7-12-11-10;1-8-2-4-9(5-3-8)10-11-6-7-12-10;1-3-5-9-6-4-7-10(8-9)11-2;1-7-2-4-8(5-3-7)9-10-6-11-12-9;1-5-2-3-6(4-11-5)7(8,9)10;1-6-3-4-7(9-2)5-8-6;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-5-2-3-6(7)4-8-5;1-4-5(2)7-8-6(4)3;1-6-4-2-3-5-7-6;1-5-3-6-7(2)4-5;1-3-4-5-6-2;1-5-2-3-6-4-5/h2-8H,9H2,1H3;2*2-8H,1H3;2*2-7H,1H3;3-8H,1-2H3;2-6H,1H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;5H,2-4,6H2,1H3;3,5H,4,6-7H2,1-2H3;2-4H,1H3;1-3H3;2-5H,1H3;3-4H,1-2H3;3-4H,5H2,1-2H3;2-4H,1H3/b;;;;;5-3+;;;;;;;;;;;4-3+;.

What are the key properties of 1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole?

1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole has a molecular weight of 2313.09 g/mol, XLogP of 36.42, 15 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole is sourced from PubChem (CID 158933644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).