2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole

C24H21NO — CID 71327926

IUPAC2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
SMILESCC(C)c1ccc(-c2cnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C24H21NO/c1-17(2)18-8-12-21(13-9-18)23-16-25-24(26-23)22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-17H,1-2H3
InChIKeyQSZZBXGVGIBOCC-UHFFFAOYSA-N
MW339.44 g/mol
LogP6.80
Rot. Bonds4

About 2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole

2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole (PubChem CID 71327926) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
PubChem CID71327926
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
SMILESCC(C)c1ccc(-c2cnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C24H21NO/c1-17(2)18-8-12-21(13-9-18)23-16-25-24(26-23)22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-17H,1-2H3
InChIKeyQSZZBXGVGIBOCC-UHFFFAOYSA-N
XLogP6.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole?
The IUPAC name of 2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole (CID 71327926) is 2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole is CC(C)c1ccc(-c2cnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole?
The InChIKey is QSZZBXGVGIBOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-17(2)18-8-12-21(13-9-18)23-16-25-24(26-23)22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-17H,1-2H3.
What are the key properties of 2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole?
2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole has a molecular weight of 339.44 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 71327926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).