3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole

C20H15FN2O2 — CID 89478708

IUPAC3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
SMILESCOc1cc(F)ccc1-c1noc2c(-c3cnccc3C)cccc12
InChIInChI=1S/C20H15FN2O2/c1-12-8-9-22-11-17(12)14-4-3-5-16-19(23-25-20(14)16)15-7-6-13(21)10-18(15)24-2/h3-11H,1-2H3
InChIKeyNTZRHDGBAKOQFX-UHFFFAOYSA-N
MW334.35 g/mol
LogP5.01
Rot. Bonds3

About 3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole

3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole (PubChem CID 89478708) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
PubChem CID89478708
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
SMILESCOc1cc(F)ccc1-c1noc2c(-c3cnccc3C)cccc12
InChIInChI=1S/C20H15FN2O2/c1-12-8-9-22-11-17(12)14-4-3-5-16-19(23-25-20(14)16)15-7-6-13(21)10-18(15)24-2/h3-11H,1-2H3
InChIKeyNTZRHDGBAKOQFX-UHFFFAOYSA-N
XLogP5.01
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.35
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The IUPAC name of 3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole (CID 89478708) is 3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole is COc1cc(F)ccc1-c1noc2c(-c3cnccc3C)cccc12.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The InChIKey is NTZRHDGBAKOQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-12-8-9-22-11-17(12)14-4-3-5-16-19(23-25-20(14)16)15-7-6-13(21)10-18(15)24-2/h3-11H,1-2H3.
What are the key properties of 3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole has a molecular weight of 334.35 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole is sourced from PubChem (CID 89478708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).