2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole

C₁₇H₂₃NO — CID 59026488

About 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole

2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole (PubChem CID 59026488) has the molecular formula C₁₇H₂₃NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole
• PubChem CID: 59026488
• Molecular Formula: C₁₇H₂₃NO
• Molecular Weight: 257.38 g/mol
• Exact Mass: 257.18
• IUPAC Name: 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole
• SMILES: CCCc1nc(-c2ccc(C(C)(C)C)cc2)oc1C
• InChI: InChI=1S/C17H23NO/c1-6-7-15-12(2)19-16(18-15)13-8-10-14(11-9-13)17(3,4)5/h8-11H,6-7H2,1-5H3
• InChIKey: QAECSEGACXWUPP-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.38
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole?

The IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole (CID 59026488) is 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole.

What is the SMILES notation for 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole?

The canonical SMILES for 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole is CCCc1nc(-c2ccc(C(C)(C)C)cc2)oc1C.

What is the InChIKey of 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole?

The InChIKey is QAECSEGACXWUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-6-7-15-12(2)19-16(18-15)13-8-10-14(11-9-13)17(3,4)5/h8-11H,6-7H2,1-5H3.

What are the key properties of 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole?

2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole has a molecular weight of 257.38 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole is sourced from PubChem (CID 59026488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59026488 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.