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

C16H11BrFNO — CID 22316852

IUPAC4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Br)cc2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C16H11BrFNO/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
InChIKeyMSGJZWIJHRRCQM-UHFFFAOYSA-N
MW332.17 g/mol
LogP5.22
Rot. Bonds2

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

4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole (PubChem CID 22316852) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole
PubChem CID22316852
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Br)cc2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C16H11BrFNO/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
InChIKeyMSGJZWIJHRRCQM-UHFFFAOYSA-N
XLogP5.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.17
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole (CID 22316852) is 4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole is Cc1nc(-c2ccc(Br)cc2)c(-c2cccc(F)c2)o1.
What is the InChIKey of 4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole?
The InChIKey is MSGJZWIJHRRCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/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 4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole?
4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole has a molecular weight of 332.17 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 22316852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).