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;methane

C47H80N4O4 — CID 160726340

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;methane

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;methane (PubChem CID 160726340) has the molecular formula C47H80N4O4 and a molecular weight of 765.18 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;methane.

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;methane
• PubChem CID: 160726340
• Molecular Formula: C47H80N4O4
• Molecular Weight: 765.18 g/mol
• Exact Mass: 764.62
• 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;methane
• SMILES: C.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.CH4/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;1H4
• InChIKey: RTTNAXDUYZOXKV-UHFFFAOYSA-N
• XLogP: 13.53
• TPSA: 98.62 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.18
LogP ≤ 5	13.53
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;methane?

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;methane (CID 160726340) 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;methane.

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;methane?

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;methane is C.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;methane?

The InChIKey is RTTNAXDUYZOXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C8H13N.2C8H12O.C7H13NO.C7H11NO.CH4/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;1H4.

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;methane?

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;methane has a molecular weight of 765.18 g/mol, XLogP of 13.53, 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;methane is sourced from PubChem (CID 160726340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).