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

C14H10FNO2 — CID 25034606

IUPAC5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3cc(F)ccc3o2)cc1
InChIInChI=1S/C14H10FNO2/c1-17-11-5-2-9(3-6-11)14-16-12-8-10(15)4-7-13(12)18-14/h2-8H,1H3
InChIKeyXAUBHNVEYUDFAH-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.64
Rot. Bonds2

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

5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole (PubChem CID 25034606) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
PubChem CID25034606
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3cc(F)ccc3o2)cc1
InChIInChI=1S/C14H10FNO2/c1-17-11-5-2-9(3-6-11)14-16-12-8-10(15)4-7-13(12)18-14/h2-8H,1H3
InChIKeyXAUBHNVEYUDFAH-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 5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole (CID 25034606) is 5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole is COc1ccc(-c2nc3cc(F)ccc3o2)cc1.
What is the InChIKey of 5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole?
The InChIKey is XAUBHNVEYUDFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c1-17-11-5-2-9(3-6-11)14-16-12-8-10(15)4-7-13(12)18-14/h2-8H,1H3.
What are the key properties of 5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole?
5-fluoro-2-(4-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 5-fluoro-2-(4-methoxyphenyl)-1,3-benzoxazole is sourced from PubChem (CID 25034606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).