5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole

C17H13F2NO — CID 59907287

IUPAC5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc(C)c(F)c2)o1
InChIInChI=1S/C17H13F2NO/c1-10-3-4-13(9-15(10)19)17-16(20-11(2)21-17)12-5-7-14(18)8-6-12/h3-9H,1-2H3
InChIKeyPSYPIUMKLWGVJI-UHFFFAOYSA-N
MW285.29 g/mol
LogP4.90
Rot. Bonds2

About 5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole

5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole (PubChem CID 59907287) has the molecular formula C17H13F2NO and a molecular weight of 285.29 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole
PubChem CID59907287
Molecular FormulaC17H13F2NO
Molecular Weight285.29 g/mol
Exact Mass285.10
IUPAC Name5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc(C)c(F)c2)o1
InChIInChI=1S/C17H13F2NO/c1-10-3-4-13(9-15(10)19)17-16(20-11(2)21-17)12-5-7-14(18)8-6-12/h3-9H,1-2H3
InChIKeyPSYPIUMKLWGVJI-UHFFFAOYSA-N
XLogP4.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole (CID 59907287) is 5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole is Cc1nc(-c2ccc(F)cc2)c(-c2ccc(C)c(F)c2)o1.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole?
The InChIKey is PSYPIUMKLWGVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO/c1-10-3-4-13(9-15(10)19)17-16(20-11(2)21-17)12-5-7-14(18)8-6-12/h3-9H,1-2H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole?
5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole has a molecular weight of 285.29 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 59907287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).