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

C18H16BrNO4 — CID 141261437

IUPAC5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2cc(OC)c(Br)c(OC)c2)cc1
InChIInChI=1S/C18H16BrNO4/c1-21-13-6-4-11(5-7-13)17-18(24-10-20-17)12-8-14(22-2)16(19)15(9-12)23-3/h4-10H,1-3H3
InChIKeyGBNGXZYSRLBWBG-UHFFFAOYSA-N
MW390.23 g/mol
LogP4.80
Rot. Bonds5

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

5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 141261437) has the molecular formula C18H16BrNO4 and a molecular weight of 390.23 g/mol. Its IUPAC name is 5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
PubChem CID141261437
Molecular FormulaC18H16BrNO4
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2cc(OC)c(Br)c(OC)c2)cc1
InChIInChI=1S/C18H16BrNO4/c1-21-13-6-4-11(5-7-13)17-18(24-10-20-17)12-8-14(22-2)16(19)15(9-12)23-3/h4-10H,1-3H3
InChIKeyGBNGXZYSRLBWBG-UHFFFAOYSA-N
XLogP4.80
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methoxy-5-[4-(3,4,5-trimethoxy-phenyl)-oxazol-5-yl]-phenol
CID 11783258
4-(3-Bromo-4,5-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole
CID 145954664
4-[5-[4-(3-bromo-4,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]-N-hydroxybutanamide
CID 171344376
4-[5-(4-Fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
CID 42623601
5-(2,4,5-Trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56943132
5-(4-Bromo-3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 56943325
5-(3-Fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
CID 56943507
4-(3,5-Dimethoxyphenyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 56943535
5-(3,4-Dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 56943567
5-(3,5-Dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 56943569
4-(4-Bromo-3,5-dimethoxyphenyl)-5-(trifluoromethyl)oxazole
CID 58432064
4-(2,4-Dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole
CID 68971176

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole (CID 141261437) is 5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2ncoc2-c2cc(OC)c(Br)c(OC)c2)cc1.
What is the InChIKey of 5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is GBNGXZYSRLBWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO4/c1-21-13-6-4-11(5-7-13)17-18(24-10-20-17)12-8-14(22-2)16(19)15(9-12)23-3/h4-10H,1-3H3.
What are the key properties of 5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole?
5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 390.23 g/mol, XLogP of 4.80, 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-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 141261437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).