2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole

C23H36N2O2 — CID 158231391

IUPAC2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole
SMILESCC(C)(C)C1=CCN=C1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1
InChIInChI=1S/C8H13N.C8H12O.C7H11NO/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6/h4,6H,5H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyGEKRFGMYTWLKKB-UHFFFAOYSA-N
MW372.55 g/mol
LogP6.59
Rot. Bonds

About 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole

2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole (PubChem CID 158231391) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole.

Molecular Properties

Compound Name2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole
PubChem CID158231391
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole
SMILESCC(C)(C)C1=CCN=C1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1
InChIInChI=1S/C8H13N.C8H12O.C7H11NO/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6/h4,6H,5H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyGEKRFGMYTWLKKB-UHFFFAOYSA-N
XLogP6.59
TPSA51.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole
CID 123145167
2-Propan-2-ylfuran;5-propan-2-yl-1,2-oxazole
CID 153583016
2-Tert-butylfuran;3-tert-butyl-1,2-oxazole
CID 157469679
2-Methyl-5-propan-2-ylfuran;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran
CID 157618525
2-Tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole
CID 158262824
2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane
CID 158279727
2-Tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane
CID 158808716
3-tert-butylfuran;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;methane
CID 159044080
2-Propan-2-ylfuran;3-propan-2-yl-1,2-oxazole
CID 159358183
2-Propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
CID 160601389
2-Tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole
CID 160998829
4-Tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane
CID 161413068

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole?
The IUPAC name of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole (CID 158231391) is 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole.
What is the SMILES notation for 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole?
The canonical SMILES for 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole is CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1.
What is the InChIKey of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole?
The InChIKey is GEKRFGMYTWLKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C8H12O.C7H11NO/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6/h4,6H,5H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole?
2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole has a molecular weight of 372.55 g/mol, XLogP of 6.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole is sourced from PubChem (CID 158231391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).