2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole

C15H12FNO3 — CID 25034607

IUPAC2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3cc(F)ccc3o2)c(OC)c1
InChIInChI=1S/C15H12FNO3/c1-18-10-4-5-11(14(8-10)19-2)15-17-12-7-9(16)3-6-13(12)20-15/h3-8H,1-2H3
InChIKeyDBQXUAFWQKCXCX-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.65
Rot. Bonds3

About 2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole

2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole (PubChem CID 25034607) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole
PubChem CID25034607
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3cc(F)ccc3o2)c(OC)c1
InChIInChI=1S/C15H12FNO3/c1-18-10-4-5-11(14(8-10)19-2)15-17-12-7-9(16)3-6-13(12)20-15/h3-8H,1-2H3
InChIKeyDBQXUAFWQKCXCX-UHFFFAOYSA-N
XLogP3.65
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole (CID 25034607) is 2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole is COc1ccc(-c2nc3cc(F)ccc3o2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole?
The InChIKey is DBQXUAFWQKCXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-18-10-4-5-11(14(8-10)19-2)15-17-12-7-9(16)3-6-13(12)20-15/h3-8H,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole?
2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole has a molecular weight of 273.26 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-5-fluoro-1,3-benzoxazole is sourced from PubChem (CID 25034607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).