6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole

C25H16FNO2 — CID 23026117

IUPAC6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole
SMILESFc1ccccc1-c1ccc2nc(-c3cccc(Oc4ccccc4)c3)oc2c1
InChIInChI=1S/C25H16FNO2/c26-22-12-5-4-11-21(22)17-13-14-23-24(16-17)29-25(27-23)18-7-6-10-20(15-18)28-19-8-2-1-3-9-19/h1-16H
InChIKeyBCCYVQZOALMVPY-UHFFFAOYSA-N
MW381.41 g/mol
LogP7.09
Rot. Bonds4

About 6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole

6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole (PubChem CID 23026117) has the molecular formula C25H16FNO2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole
PubChem CID23026117
Molecular FormulaC25H16FNO2
Molecular Weight381.41 g/mol
Exact Mass381.12
IUPAC Name6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole
SMILESFc1ccccc1-c1ccc2nc(-c3cccc(Oc4ccccc4)c3)oc2c1
InChIInChI=1S/C25H16FNO2/c26-22-12-5-4-11-21(22)17-13-14-23-24(16-17)29-25(27-23)18-7-6-10-20(15-18)28-19-8-2-1-3-9-19/h1-16H
InChIKeyBCCYVQZOALMVPY-UHFFFAOYSA-N
XLogP7.09
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.41
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole?
The IUPAC name of 6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole (CID 23026117) is 6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole.
What is the SMILES notation for 6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole?
The canonical SMILES for 6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole is Fc1ccccc1-c1ccc2nc(-c3cccc(Oc4ccccc4)c3)oc2c1.
What is the InChIKey of 6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole?
The InChIKey is BCCYVQZOALMVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FNO2/c26-22-12-5-4-11-21(22)17-13-14-23-24(16-17)29-25(27-23)18-7-6-10-20(15-18)28-19-8-2-1-3-9-19/h1-16H.
What are the key properties of 6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole?
6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole has a molecular weight of 381.41 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole is sourced from PubChem (CID 23026117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).