6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole

C26H22N2O2 — CID 59691082

IUPAC6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole
SMILESCC(C)c1ccc(-c2c(-c3ccc(Oc4ccccc4)cc3)nc3occn23)cc1
InChIInChI=1S/C26H22N2O2/c1-18(2)19-8-10-21(11-9-19)25-24(27-26-28(25)16-17-29-26)20-12-14-23(15-13-20)30-22-6-4-3-5-7-22/h3-18H,1-2H3
InChIKeyIAXHPKJZSIUOFZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP7.18
Rot. Bonds5

About 6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole

6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 59691082) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID59691082
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole
SMILESCC(C)c1ccc(-c2c(-c3ccc(Oc4ccccc4)cc3)nc3occn23)cc1
InChIInChI=1S/C26H22N2O2/c1-18(2)19-8-10-21(11-9-19)25-24(27-26-28(25)16-17-29-26)20-12-14-23(15-13-20)30-22-6-4-3-5-7-22/h3-18H,1-2H3
InChIKeyIAXHPKJZSIUOFZ-UHFFFAOYSA-N
XLogP7.18
TPSA39.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole (CID 59691082) is 6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole is CC(C)c1ccc(-c2c(-c3ccc(Oc4ccccc4)cc3)nc3occn23)cc1.
What is the InChIKey of 6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is IAXHPKJZSIUOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-18(2)19-8-10-21(11-9-19)25-24(27-26-28(25)16-17-29-26)20-12-14-23(15-13-20)30-22-6-4-3-5-7-22/h3-18H,1-2H3.
What are the key properties of 6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole?
6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 394.47 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59691082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).