5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole

C20H15FN2O2 — CID 154975544

IUPAC5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2ncc(Cc3ccc(-c4ncco4)c(F)c3)o2)cc1
InChIInChI=1S/C20H15FN2O2/c1-13-2-5-15(6-3-13)19-23-12-16(25-19)10-14-4-7-17(18(21)11-14)20-22-8-9-24-20/h2-9,11-12H,10H2,1H3
InChIKeyXYKWZLVXUMKZAK-UHFFFAOYSA-N
MW334.35 g/mol
LogP5.03
Rot. Bonds4

About 5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole

5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 154975544) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole
PubChem CID154975544
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2ncc(Cc3ccc(-c4ncco4)c(F)c3)o2)cc1
InChIInChI=1S/C20H15FN2O2/c1-13-2-5-15(6-3-13)19-23-12-16(25-19)10-14-4-7-17(18(21)11-14)20-22-8-9-24-20/h2-9,11-12H,10H2,1H3
InChIKeyXYKWZLVXUMKZAK-UHFFFAOYSA-N
XLogP5.03
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.35
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole (CID 154975544) is 5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2ncc(Cc3ccc(-c4ncco4)c(F)c3)o2)cc1.
What is the InChIKey of 5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is XYKWZLVXUMKZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-13-2-5-15(6-3-13)19-23-12-16(25-19)10-14-4-7-17(18(21)11-14)20-22-8-9-24-20/h2-9,11-12H,10H2,1H3.
What are the key properties of 5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole?
5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 334.35 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 154975544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).