4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole

C48H82N14O3S2 — CID 158939891

About 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole

4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 158939891) has the molecular formula C48H82N14O3S2 and a molecular weight of 967.41 g/mol. Its IUPAC name is 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole
• PubChem CID: 158939891
• Molecular Formula: C48H82N14O3S2
• Molecular Weight: 967.41 g/mol
• Exact Mass: 966.61
• IUPAC Name: 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole
• SMILES: Cc1nc(C(C)C)n(C)n1.Cc1nc(C(C)C)oc1C.Cc1nc(C(C)C)sc1C.Cc1nnc(C(C)C)n1C.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1
• InChI: InChI=1S/C8H13NO.C8H13NS.2C7H13N3.2C6H10N2O.C6H10N2S/c2*1-5(2)8-9-6(3)7(4)10-8;1-5(2)7-9-8-6(3)10(7)4;1-5(2)7-8-6(3)9-10(7)4;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6/h4*5H,1-4H3;3*4H,1-3H3
• InChIKey: JKCRGBQHOMYNSD-UHFFFAOYSA-N
• XLogP: 12.76
• TPSA: 203.96 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.41
LogP ≤ 5	12.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole?

The IUPAC name of 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole (CID 158939891) is 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole.

What is the SMILES notation for 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole?

The canonical SMILES for 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole is Cc1nc(C(C)C)n(C)n1.Cc1nc(C(C)C)oc1C.Cc1nc(C(C)C)sc1C.Cc1nnc(C(C)C)n1C.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1.

What is the InChIKey of 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole?

The InChIKey is JKCRGBQHOMYNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C8H13NS.2C7H13N3.2C6H10N2O.C6H10N2S/c2*1-5(2)8-9-6(3)7(4)10-8;1-5(2)7-9-8-6(3)10(7)4;1-5(2)7-8-6(3)9-10(7)4;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6/h4*5H,1-4H3;3*4H,1-3H3.

What are the key properties of 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole?

4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 967.41 g/mol, XLogP of 12.76, 7 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 158939891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).