2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole

C46H76N4O4 — CID 158079660

About 2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole

2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole (PubChem CID 158079660) has the molecular formula C46H76N4O4 and a molecular weight of 749.14 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole.

Molecular Properties

• Compound Name: 2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole
• PubChem CID: 158079660
• Molecular Formula: C46H76N4O4
• Molecular Weight: 749.14 g/mol
• Exact Mass: 748.59
• IUPAC Name: 2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole
• SMILES: CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCCC1.CC(C)(C)C1=NCCO1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ncco1
• InChI: InChI=1S/C8H15N.C8H13N.2C8H12O.C7H13NO.C7H11NO/c4*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6/h4-6H2,1-3H3;4-5H,6H2,1-3H3;2*4-6H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3
• InChIKey: FMUIEQZMTNYRHR-UHFFFAOYSA-N
• XLogP: 12.90
• TPSA: 98.62 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.14
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole?

The IUPAC name of 2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole (CID 158079660) is 2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole.

What is the SMILES notation for 2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole?

The canonical SMILES for 2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole is CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCCC1.CC(C)(C)C1=NCCO1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ncco1.

What is the InChIKey of 2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole?

The InChIKey is FMUIEQZMTNYRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C8H13N.2C8H12O.C7H13NO.C7H11NO/c4*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6/h4-6H2,1-3H3;4-5H,6H2,1-3H3;2*4-6H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3.

What are the key properties of 2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole?

2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole has a molecular weight of 749.14 g/mol, XLogP of 12.90, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole is sourced from PubChem (CID 158079660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).