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

C16H11F2NO — CID 11747670

IUPAC5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(F)cc2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C16H11F2NO/c1-10-19-15(11-5-7-13(17)8-6-11)16(20-10)12-3-2-4-14(18)9-12/h2-9H,1H3
InChIKeyBGWSRGLMQXGKRS-UHFFFAOYSA-N
MW271.27 g/mol
LogP4.60
Rot. Bonds2

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

5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole (PubChem CID 11747670) has the molecular formula C16H11F2NO and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole
PubChem CID11747670
Molecular FormulaC16H11F2NO
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(F)cc2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C16H11F2NO/c1-10-19-15(11-5-7-13(17)8-6-11)16(20-10)12-3-2-4-14(18)9-12/h2-9H,1H3
InChIKeyBGWSRGLMQXGKRS-UHFFFAOYSA-N
XLogP4.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole (CID 11747670) is 5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole is Cc1nc(-c2ccc(F)cc2)c(-c2cccc(F)c2)o1.
What is the InChIKey of 5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole?
The InChIKey is BGWSRGLMQXGKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO/c1-10-19-15(11-5-7-13(17)8-6-11)16(20-10)12-3-2-4-14(18)9-12/h2-9H,1H3.
What are the key properties of 5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole?
5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole has a molecular weight of 271.27 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 11747670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).