6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole

C14H10FNO2 — CID 44587517

IUPAC6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccccc1-c1nc2ccc(F)cc2o1
InChIInChI=1S/C14H10FNO2/c1-17-12-5-3-2-4-10(12)14-16-11-7-6-9(15)8-13(11)18-14/h2-8H,1H3
InChIKeyQAJHIVNJPVTGCK-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.64
Rot. Bonds2

About 6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole

6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole (PubChem CID 44587517) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole
PubChem CID44587517
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccccc1-c1nc2ccc(F)cc2o1
InChIInChI=1S/C14H10FNO2/c1-17-12-5-3-2-4-10(12)14-16-11-7-6-9(15)8-13(11)18-14/h2-8H,1H3
InChIKeyQAJHIVNJPVTGCK-UHFFFAOYSA-N
XLogP3.64
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole?
The IUPAC name of 6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole (CID 44587517) is 6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole.
What is the SMILES notation for 6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole?
The canonical SMILES for 6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole is COc1ccccc1-c1nc2ccc(F)cc2o1.
What is the InChIKey of 6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole?
The InChIKey is QAJHIVNJPVTGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c1-17-12-5-3-2-4-10(12)14-16-11-7-6-9(15)8-13(11)18-14/h2-8H,1H3.
What are the key properties of 6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole?
6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole has a molecular weight of 243.24 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole is sourced from PubChem (CID 44587517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).