5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole

C19H13FN2O2 — CID 10215538

IUPAC5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole
SMILESCOc1cc(-c2nc3cc(F)ccc3o2)ccc1-c1ccccn1
InChIInChI=1S/C19H13FN2O2/c1-23-18-10-12(5-7-14(18)15-4-2-3-9-21-15)19-22-16-11-13(20)6-8-17(16)24-19/h2-11H,1H3
InChIKeyMVTFFIDATMKVRF-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.70
Rot. Bonds3

About 5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole

5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole (PubChem CID 10215538) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole
PubChem CID10215538
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole
SMILESCOc1cc(-c2nc3cc(F)ccc3o2)ccc1-c1ccccn1
InChIInChI=1S/C19H13FN2O2/c1-23-18-10-12(5-7-14(18)15-4-2-3-9-21-15)19-22-16-11-13(20)6-8-17(16)24-19/h2-11H,1H3
InChIKeyMVTFFIDATMKVRF-UHFFFAOYSA-N
XLogP4.70
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 10286338
6-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridin-3-amine
CID 10149716
2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
CID 25034610
5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032
5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline
CID 63744297
2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole
CID 161074918
2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol
CID 118228942
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one
CID 58778450
2-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxyphenol
CID 4183148
6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine
CID 90159712

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole (CID 10215538) is 5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole is COc1cc(-c2nc3cc(F)ccc3o2)ccc1-c1ccccn1.
What is the InChIKey of 5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole?
The InChIKey is MVTFFIDATMKVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2/c1-23-18-10-12(5-7-14(18)15-4-2-3-9-21-15)19-22-16-11-13(20)6-8-17(16)24-19/h2-11H,1H3.
What are the key properties of 5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole?
5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole has a molecular weight of 320.32 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 10215538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).