2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole

C26H44N8OS — CID 162069006

About 2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole

2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole (PubChem CID 162069006) has the molecular formula C26H44N8OS and a molecular weight of 516.76 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole.

Molecular Properties

• Compound Name: 2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole
• PubChem CID: 162069006
• Molecular Formula: C26H44N8OS
• Molecular Weight: 516.76 g/mol
• Exact Mass: 516.34
• IUPAC Name: 2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole
• SMILES: CC(C)c1cn(C)nn1.CC(C)c1cnn(C)c1.Cc1ncc(C(C)C)o1.Cc1nnc(C(C)C)s1
• InChI: InChI=1S/C7H12N2.C7H11NO.C6H11N3.C6H10N2S/c1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-4-9(3)8-7-6;1-4(2)6-8-7-5(3)9-6/h4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3
• InChIKey: ZAVCYDREWHAQRY-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 100.34 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.76
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole?

The IUPAC name of 2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole (CID 162069006) is 2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole.

What is the SMILES notation for 2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole?

The canonical SMILES for 2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole is CC(C)c1cn(C)nn1.CC(C)c1cnn(C)c1.Cc1ncc(C(C)C)o1.Cc1nnc(C(C)C)s1.

What is the InChIKey of 2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole?

The InChIKey is ZAVCYDREWHAQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C7H11NO.C6H11N3.C6H10N2S/c1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-4-9(3)8-7-6;1-4(2)6-8-7-5(3)9-6/h4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3.

What are the key properties of 2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole?

2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole has a molecular weight of 516.76 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole is sourced from PubChem (CID 162069006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).