2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole

C26H14F2N2O3 — CID 141185714

IUPAC2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole
SMILESFc1cccc(-c2nc3ccc(Oc4ccc5nc(-c6cccc(F)c6)oc5c4)cc3o2)c1
InChIInChI=1S/C26H14F2N2O3/c27-17-5-1-3-15(11-17)25-29-21-9-7-19(13-23(21)32-25)31-20-8-10-22-24(14-20)33-26(30-22)16-4-2-6-18(28)12-16/h1-14H
InChIKeyLQTFYOTYDIJZRV-UHFFFAOYSA-N
MW440.41 g/mol
LogP7.37
Rot. Bonds4

About 2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole

2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole (PubChem CID 141185714) has the molecular formula C26H14F2N2O3 and a molecular weight of 440.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole
PubChem CID141185714
Molecular FormulaC26H14F2N2O3
Molecular Weight440.41 g/mol
Exact Mass440.10
IUPAC Name2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole
SMILESFc1cccc(-c2nc3ccc(Oc4ccc5nc(-c6cccc(F)c6)oc5c4)cc3o2)c1
InChIInChI=1S/C26H14F2N2O3/c27-17-5-1-3-15(11-17)25-29-21-9-7-19(13-23(21)32-25)31-20-8-10-22-24(14-20)33-26(30-22)16-4-2-6-18(28)12-16/h1-14H
InChIKeyLQTFYOTYDIJZRV-UHFFFAOYSA-N
XLogP7.37
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.41
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole?
The IUPAC name of 2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole (CID 141185714) is 2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole?
The canonical SMILES for 2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole is Fc1cccc(-c2nc3ccc(Oc4ccc5nc(-c6cccc(F)c6)oc5c4)cc3o2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole?
The InChIKey is LQTFYOTYDIJZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F2N2O3/c27-17-5-1-3-15(11-17)25-29-21-9-7-19(13-23(21)32-25)31-20-8-10-22-24(14-20)33-26(30-22)16-4-2-6-18(28)12-16/h1-14H.
What are the key properties of 2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole?
2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole has a molecular weight of 440.41 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole is sourced from PubChem (CID 141185714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).