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

C27H42N4O3S — CID 163488651

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

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole (PubChem CID 163488651) has the molecular formula C27H42N4O3S and a molecular weight of 502.73 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole
• PubChem CID: 163488651
• Molecular Formula: C27H42N4O3S
• Molecular Weight: 502.73 g/mol
• Exact Mass: 502.30
• IUPAC Name: 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole
• SMILES: CC(C)c1ncco1.CC(C)c1nccs1.Cc1noc(C)c1C(C)C.Cc1nocc1C(C)C
• InChI: InChI=1S/C8H13NO.C7H11NO.C6H9NO.C6H9NS/c1-5(2)8-6(3)9-10-7(8)4;1-5(2)7-4-9-8-6(7)3;2*1-5(2)6-7-3-4-8-6/h5H,1-4H3;4-5H,1-3H3;2*3-5H,1-2H3
• InChIKey: CKSGZZYGQJWZJF-UHFFFAOYSA-N
• XLogP: 8.59
• TPSA: 90.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.73
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole (CID 163488651) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole.

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

The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole is CC(C)c1ncco1.CC(C)c1nccs1.Cc1noc(C)c1C(C)C.Cc1nocc1C(C)C.

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

The InChIKey is CKSGZZYGQJWZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C7H11NO.C6H9NO.C6H9NS/c1-5(2)8-6(3)9-10-7(8)4;1-5(2)7-4-9-8-6(7)3;2*1-5(2)6-7-3-4-8-6/h5H,1-4H3;4-5H,1-3H3;2*3-5H,1-2H3.

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

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 502.73 g/mol, XLogP of 8.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 163488651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).