2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole

C35H59N5O5 — CID 158925069

About 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole

2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole (PubChem CID 158925069) has the molecular formula C35H59N5O5 and a molecular weight of 629.89 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole.

Molecular Properties

• Compound Name: 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole
• PubChem CID: 158925069
• Molecular Formula: C35H59N5O5
• Molecular Weight: 629.89 g/mol
• Exact Mass: 629.45
• IUPAC Name: 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole
• SMILES: CC(C)(C)C1=NCCO1.CC(C)(C)C1=NOCC1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1ncco1
• InChI: InChI=1S/C7H13NO.C7H11NO.C7H13NO.2C7H11NO/c2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6/h4-5H2,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;2*4-5H,1-3H3
• InChIKey: JIIHPDYTQQRYBS-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 121.27 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.89
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole?

The IUPAC name of 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole (CID 158925069) is 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole.

What is the SMILES notation for 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole?

The canonical SMILES for 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole is CC(C)(C)C1=NCCO1.CC(C)(C)C1=NOCC1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1ncco1.

What is the InChIKey of 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole?

The InChIKey is JIIHPDYTQQRYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C7H11NO.C7H13NO.2C7H11NO/c2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6/h4-5H2,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;2*4-5H,1-3H3.

What are the key properties of 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole?

2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole has a molecular weight of 629.89 g/mol, XLogP of 9.19, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole is sourced from PubChem (CID 158925069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).