3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole

C16H11BrClNO2 — CID 118371898

IUPAC3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole
SMILESCOc1cccc(Br)c1-c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C16H11BrClNO2/c1-20-14-7-3-6-12(17)16(14)13-9-15(21-19-13)10-4-2-5-11(18)8-10/h2-9H,1H3
InChIKeyUAQVSAGSLGLDPZ-UHFFFAOYSA-N
MW364.63 g/mol
LogP5.43
Rot. Bonds3

About 3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole

3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole (PubChem CID 118371898) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is 3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole
PubChem CID118371898
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC Name3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole
SMILESCOc1cccc(Br)c1-c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C16H11BrClNO2/c1-20-14-7-3-6-12(17)16(14)13-9-15(21-19-13)10-4-2-5-11(18)8-10/h2-9H,1H3
InChIKeyUAQVSAGSLGLDPZ-UHFFFAOYSA-N
XLogP5.43
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.63
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole?
The IUPAC name of 3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole (CID 118371898) is 3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole?
The canonical SMILES for 3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole is COc1cccc(Br)c1-c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole?
The InChIKey is UAQVSAGSLGLDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c1-20-14-7-3-6-12(17)16(14)13-9-15(21-19-13)10-4-2-5-11(18)8-10/h2-9H,1H3.
What are the key properties of 3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole?
3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole has a molecular weight of 364.63 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole is sourced from PubChem (CID 118371898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).