3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene

C116H136N8O2S2 — CID 158910828

About 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene

3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene (PubChem CID 158910828) has the molecular formula C116H136N8O2S2 and a molecular weight of 1738.55 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene
• PubChem CID: 158910828
• Molecular Formula: C116H136N8O2S2
• Molecular Weight: 1738.55 g/mol
• Exact Mass: 1737.02
• IUPAC Name: 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene
• SMILES: C.C.C.C.C.C.C.C.C.Cc1ccc(-c2c(C)noc2C)cc1.Cc1ccc(-c2cc3ccccc3o2)cc1.Cc1ccc(-c2ccc(C)s2)cc1.Cc1ccc(-c2ccc[nH]2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccc(-c2ccsc2)cc1.Cc1ccc(-c2cncnc2)cc1.Cc1ccc(-c2ncccn2)cc1
• InChI: InChI=1S/C15H12O.C12H13NO.2C12H11N.C12H12S.2C11H10N2.C11H11N.C11H10S.9CH4/c1-11-6-8-12(9-7-11)15-10-13-4-2-3-5-14(13)16-15;1-8-4-6-11(7-5-8)12-9(2)13-14-10(12)3;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-9-3-6-11(7-4-9)12-8-5-10(2)13-12;1-9-3-5-10(6-4-9)11-12-7-2-8-13-11;1-9-2-4-10(5-3-9)11-6-12-8-13-7-11;1-9-4-6-10(7-5-9)11-3-2-8-12-11;1-9-2-4-10(5-3-9)11-6-7-12-8-11;;;;;;;;;/h2-10H,1H3;4-7H,1-3H3;2*2-9H,1H3;3-8H,1-2H3;2*2-8H,1H3;2-8,12H,1H3;2-8H,1H3;9*1H4
• InChIKey: JGPVNVBJSFUOOB-UHFFFAOYSA-N
• XLogP: 35.16
• TPSA: 132.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1738.55
LogP ≤ 5	35.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene?

The IUPAC name of 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene (CID 158910828) is 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene.

What is the SMILES notation for 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene?

The canonical SMILES for 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene is C.C.C.C.C.C.C.C.C.Cc1ccc(-c2c(C)noc2C)cc1.Cc1ccc(-c2cc3ccccc3o2)cc1.Cc1ccc(-c2ccc(C)s2)cc1.Cc1ccc(-c2ccc[nH]2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccc(-c2ccsc2)cc1.Cc1ccc(-c2cncnc2)cc1.Cc1ccc(-c2ncccn2)cc1.

What is the InChIKey of 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene?

The InChIKey is JGPVNVBJSFUOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O.C12H13NO.2C12H11N.C12H12S.2C11H10N2.C11H11N.C11H10S.9CH4/c1-11-6-8-12(9-7-11)15-10-13-4-2-3-5-14(13)16-15;1-8-4-6-11(7-5-8)12-9(2)13-14-10(12)3;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-9-3-6-11(7-4-9)12-8-5-10(2)13-12;1-9-3-5-10(6-4-9)11-12-7-2-8-13-11;1-9-2-4-10(5-3-9)11-6-12-8-13-7-11;1-9-4-6-10(7-5-9)11-3-2-8-12-11;1-9-2-4-10(5-3-9)11-6-7-12-8-11;;;;;;;;;/h2-10H,1H3;4-7H,1-3H3;2*2-9H,1H3;3-8H,1-2H3;2*2-8H,1H3;2-8,12H,1H3;2-8H,1H3;9*1H4.

What are the key properties of 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene?

3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene has a molecular weight of 1738.55 g/mol, XLogP of 35.16, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene is sourced from PubChem (CID 158910828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).