2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene

C166H242N10O3S5 — CID 157136221

About 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene

2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene (PubChem CID 157136221) has the molecular formula C166H242N10O3S5 and a molecular weight of 2586.16 g/mol. Its IUPAC name is 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene.

Molecular Properties

• Compound Name: 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene
• PubChem CID: 157136221
• Molecular Formula: C166H242N10O3S5
• Molecular Weight: 2586.16 g/mol
• Exact Mass: 2583.77
• IUPAC Name: 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC=C(c2ccc(C)cc2)C2OC(C)=NC12.Cc1ccc(-c2ccc(C)o2)cc1.Cc1ccc(-c2ccc(C)s2)cc1.Cc1ccc(-c2ccc3nc(C)oc3c2)cc1.Cc1ccc(-c2cnc(C)nc2)cc1.Cc1ccc(-c2nc(C)cs2)cc1.Cc1ccc(-c2ncc(C)cn2)cc1.Cc1ccc(-c2ncc(C)s2)cc1.Cc1ccc(-c2sc3c(C)c(C)sc3c2C)cc1.Cc1ccc(-n2ccc(C)n2)cc1
• InChI: InChI=1S/C16H17NO.C16H16S2.C15H13NO.2C12H12N2.C12H12O.C12H12S.C11H12N2.2C11H11NS.19C2H6/c1-10-4-7-13(8-5-10)14-9-6-11(2)15-16(14)18-12(3)17-15;1-9-5-7-13(8-6-9)14-11(3)16-15(18-14)10(2)12(4)17-16;1-10-3-5-12(6-4-10)13-7-8-14-15(9-13)17-11(2)16-14;1-9-3-5-11(6-4-9)12-7-13-10(2)14-8-12;1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12;2*1-9-3-6-11(7-4-9)12-8-5-10(2)13-12;1-9-3-5-11(6-4-9)13-8-7-10(2)12-13;1-8-3-5-10(6-4-8)11-12-9(2)7-13-11;1-8-3-5-10(6-4-8)11-12-7-9(2)13-11;19*1-2/h4-9,15-16H,1-3H3;5-8H,1-4H3;3-9H,1-2H3;2*3-8H,1-2H3;3*3-8H,1-2H3;2*3-7H,1-2H3;19*1-2H3
• InChIKey: AJQQDFZOIVYIBF-UHFFFAOYSA-N
• XLogP: 55.46
• TPSA: 155.92 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2586.16
LogP ≤ 5	55.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene?

The IUPAC name of 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene (CID 157136221) is 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene.

What is the SMILES notation for 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene?

The canonical SMILES for 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC=C(c2ccc(C)cc2)C2OC(C)=NC12.Cc1ccc(-c2ccc(C)o2)cc1.Cc1ccc(-c2ccc(C)s2)cc1.Cc1ccc(-c2ccc3nc(C)oc3c2)cc1.Cc1ccc(-c2cnc(C)nc2)cc1.Cc1ccc(-c2nc(C)cs2)cc1.Cc1ccc(-c2ncc(C)cn2)cc1.Cc1ccc(-c2ncc(C)s2)cc1.Cc1ccc(-c2sc3c(C)c(C)sc3c2C)cc1.Cc1ccc(-n2ccc(C)n2)cc1.

What is the InChIKey of 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene?

The InChIKey is AJQQDFZOIVYIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C16H16S2.C15H13NO.2C12H12N2.C12H12O.C12H12S.C11H12N2.2C11H11NS.19C2H6/c1-10-4-7-13(8-5-10)14-9-6-11(2)15-16(14)18-12(3)17-15;1-9-5-7-13(8-6-9)14-11(3)16-15(18-14)10(2)12(4)17-16;1-10-3-5-12(6-4-10)13-7-8-14-15(9-13)17-11(2)16-14;1-9-3-5-11(6-4-9)12-7-13-10(2)14-8-12;1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12;2*1-9-3-6-11(7-4-9)12-8-5-10(2)13-12;1-9-3-5-11(6-4-9)13-8-7-10(2)12-13;1-8-3-5-10(6-4-8)11-12-9(2)7-13-11;1-8-3-5-10(6-4-8)11-12-7-9(2)13-11;19*1-2/h4-9,15-16H,1-3H3;5-8H,1-4H3;3-9H,1-2H3;2*3-8H,1-2H3;3*3-8H,1-2H3;2*3-7H,1-2H3;19*1-2H3.

What are the key properties of 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene?

2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene has a molecular weight of 2586.16 g/mol, XLogP of 55.46, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene is sourced from PubChem (CID 157136221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).