1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole

C64H98N10OS — CID 158513787

About 1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole

1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole (PubChem CID 158513787) has the molecular formula C64H98N10OS and a molecular weight of 1055.62 g/mol. Its IUPAC name is 1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole.

Molecular Properties

• Compound Name: 1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole
• PubChem CID: 158513787
• Molecular Formula: C64H98N10OS
• Molecular Weight: 1055.62 g/mol
• Exact Mass: 1054.76
• IUPAC Name: 1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole
• SMILES: CC(C)c1ccnn1C.CC(C)c1ccsc1.CC(C)c1cncnc1.CC(C)n1ccnn1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cn1.Cc1nccc(C(C)C)c1C.Cc1noc(C)c1C(C)C
• InChI: InChI=1S/C11H16.C10H15N.C9H13N.C8H13NO.C7H10N2.C7H12N2.C7H10S.C5H9N3/c1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)10-5-6-11-9(4)8(10)3;1-7(2)9-5-4-8(3)10-6-9;1-5(2)8-6(3)9-10-7(8)4;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;1-5(2)8-4-3-6-7-8/h5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5H,1-4H3;3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3
• InChIKey: HLJMUYJMIAIYTN-UHFFFAOYSA-N
• XLogP: 18.05
• TPSA: 126.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.62
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole?

The IUPAC name of 1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole (CID 158513787) is 1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole.

What is the SMILES notation for 1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole?

The canonical SMILES for 1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole is CC(C)c1ccnn1C.CC(C)c1ccsc1.CC(C)c1cncnc1.CC(C)n1ccnn1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cn1.Cc1nccc(C(C)C)c1C.Cc1noc(C)c1C(C)C.

What is the InChIKey of 1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole?

The InChIKey is HLJMUYJMIAIYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C10H15N.C9H13N.C8H13NO.C7H10N2.C7H12N2.C7H10S.C5H9N3/c1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)10-5-6-11-9(4)8(10)3;1-7(2)9-5-4-8(3)10-6-9;1-5(2)8-6(3)9-10-7(8)4;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;1-5(2)8-4-3-6-7-8/h5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5H,1-4H3;3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3.

What are the key properties of 1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole?

1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole has a molecular weight of 1055.62 g/mol, XLogP of 18.05, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-4-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylthiophene;1-propan-2-yltriazole is sourced from PubChem (CID 158513787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).