4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole

C15H11BrClFN2O — CID 154720157

IUPAC4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole
SMILESCC1(c2cc(Br)ccc2F)COC(c2cncc(Cl)c2)=N1
InChIInChI=1S/C15H11BrClFN2O/c1-15(12-5-10(16)2-3-13(12)18)8-21-14(20-15)9-4-11(17)7-19-6-9/h2-7H,8H2,1H3
InChIKeyMUZBLQWTLXASMG-UHFFFAOYSA-N
MW369.62 g/mol
LogP4.33
Rot. Bonds2

About 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole

4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole (PubChem CID 154720157) has the molecular formula C15H11BrClFN2O and a molecular weight of 369.62 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole
PubChem CID154720157
Molecular FormulaC15H11BrClFN2O
Molecular Weight369.62 g/mol
Exact Mass367.97
IUPAC Name4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole
SMILESCC1(c2cc(Br)ccc2F)COC(c2cncc(Cl)c2)=N1
InChIInChI=1S/C15H11BrClFN2O/c1-15(12-5-10(16)2-3-13(12)18)8-21-14(20-15)9-4-11(17)7-19-6-9/h2-7H,8H2,1H3
InChIKeyMUZBLQWTLXASMG-UHFFFAOYSA-N
XLogP4.33
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole (CID 154720157) is 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole is CC1(c2cc(Br)ccc2F)COC(c2cncc(Cl)c2)=N1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole?
The InChIKey is MUZBLQWTLXASMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2O/c1-15(12-5-10(16)2-3-13(12)18)8-21-14(20-15)9-4-11(17)7-19-6-9/h2-7H,8H2,1H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole?
4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole has a molecular weight of 369.62 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole is sourced from PubChem (CID 154720157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).