2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole

C23H32N2O2 — CID 129094930

IUPAC2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole
SMILESCC(C)(C)c1ccc(CC(C)(C)c2cc(CC(C)(C)c3ncco3)c[nH]2)o1
InChIInChI=1S/C23H32N2O2/c1-21(2,3)19-9-8-17(27-19)14-22(4,5)18-12-16(15-25-18)13-23(6,7)20-24-10-11-26-20/h8-12,15,25H,13-14H2,1-7H3
InChIKeyCBKAHESOEYJLFD-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.93
Rot. Bonds6

About 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole

2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole (PubChem CID 129094930) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole
PubChem CID129094930
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole
SMILESCC(C)(C)c1ccc(CC(C)(C)c2cc(CC(C)(C)c3ncco3)c[nH]2)o1
InChIInChI=1S/C23H32N2O2/c1-21(2,3)19-9-8-17(27-19)14-22(4,5)18-12-16(15-25-18)13-23(6,7)20-24-10-11-26-20/h8-12,15,25H,13-14H2,1-7H3
InChIKeyCBKAHESOEYJLFD-UHFFFAOYSA-N
XLogP5.93
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole (CID 129094930) is 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole is CC(C)(C)c1ccc(CC(C)(C)c2cc(CC(C)(C)c3ncco3)c[nH]2)o1.
What is the InChIKey of 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole?
The InChIKey is CBKAHESOEYJLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-21(2,3)19-9-8-17(27-19)14-22(4,5)18-12-16(15-25-18)13-23(6,7)20-24-10-11-26-20/h8-12,15,25H,13-14H2,1-7H3.
What are the key properties of 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole?
2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole has a molecular weight of 368.52 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-3-yl]-2-methylpropan-2-yl]-1,3-oxazole is sourced from PubChem (CID 129094930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).