6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole

C20H14FNO2 — CID 23025909

IUPAC6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3ccc(-c4ccccc4F)cc3o2)cc1
InChIInChI=1S/C20H14FNO2/c1-23-15-9-6-13(7-10-15)20-22-18-11-8-14(12-19(18)24-20)16-4-2-3-5-17(16)21/h2-12H,1H3
InChIKeyYRCOFLBWRCNDFG-UHFFFAOYSA-N
MW319.34 g/mol
LogP5.31
Rot. Bonds3

About 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole

6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole (PubChem CID 23025909) has the molecular formula C20H14FNO2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole
PubChem CID23025909
Molecular FormulaC20H14FNO2
Molecular Weight319.34 g/mol
Exact Mass319.10
IUPAC Name6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3ccc(-c4ccccc4F)cc3o2)cc1
InChIInChI=1S/C20H14FNO2/c1-23-15-9-6-13(7-10-15)20-22-18-11-8-14(12-19(18)24-20)16-4-2-3-5-17(16)21/h2-12H,1H3
InChIKeyYRCOFLBWRCNDFG-UHFFFAOYSA-N
XLogP5.31
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.34
LogP ≤ 55.31
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-(4-methoxyphenyl)-1,3-benzoxazole?
The IUPAC name of 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole (CID 23025909) is 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole.
What is the SMILES notation for 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole?
The canonical SMILES for 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole is COc1ccc(-c2nc3ccc(-c4ccccc4F)cc3o2)cc1.
What is the InChIKey of 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole?
The InChIKey is YRCOFLBWRCNDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2/c1-23-15-9-6-13(7-10-15)20-22-18-11-8-14(12-19(18)24-20)16-4-2-3-5-17(16)21/h2-12H,1H3.
What are the key properties of 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole?
6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole has a molecular weight of 319.34 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole is sourced from PubChem (CID 23025909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).