5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole

C18H15BrFNO4 — CID 56943325

IUPAC5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2cc(OC)c(Br)c(OC)c2)cc1F
InChIInChI=1S/C18H15BrFNO4/c1-22-13-5-4-10(6-12(13)20)17-18(25-9-21-17)11-7-14(23-2)16(19)15(8-11)24-3/h4-9H,1-3H3
InChIKeySQIXTBSHOAJYPN-UHFFFAOYSA-N
MW408.22 g/mol
LogP4.94
Rot. Bonds5

About 5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole

5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole (PubChem CID 56943325) has the molecular formula C18H15BrFNO4 and a molecular weight of 408.22 g/mol. Its IUPAC name is 5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
PubChem CID56943325
Molecular FormulaC18H15BrFNO4
Molecular Weight408.22 g/mol
Exact Mass407.02
IUPAC Name5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2cc(OC)c(Br)c(OC)c2)cc1F
InChIInChI=1S/C18H15BrFNO4/c1-22-13-5-4-10(6-12(13)20)17-18(25-9-21-17)11-7-14(23-2)16(19)15(8-11)24-3/h4-9H,1-3H3
InChIKeySQIXTBSHOAJYPN-UHFFFAOYSA-N
XLogP4.94
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.22
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole (CID 56943325) is 5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2ncoc2-c2cc(OC)c(Br)c(OC)c2)cc1F.
What is the InChIKey of 5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The InChIKey is SQIXTBSHOAJYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFNO4/c1-22-13-5-4-10(6-12(13)20)17-18(25-9-21-17)11-7-14(23-2)16(19)15(8-11)24-3/h4-9H,1-3H3.
What are the key properties of 5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole has a molecular weight of 408.22 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56943325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).