4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole

C19H18BrNO5 — CID 19585869

IUPAC4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2noc(-c3ccc(OC)c(OC)c3)c2Br)cc1OC
InChIInChI=1S/C19H18BrNO5/c1-22-13-7-5-11(9-15(13)24-3)18-17(20)19(26-21-18)12-6-8-14(23-2)16(10-12)25-4/h5-10H,1-4H3
InChIKeyRIUMNVIOZHKSOJ-UHFFFAOYSA-N
MW420.26 g/mol
LogP4.81
Rot. Bonds6

About 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole

4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole (PubChem CID 19585869) has the molecular formula C19H18BrNO5 and a molecular weight of 420.26 g/mol. Its IUPAC name is 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole
PubChem CID19585869
Molecular FormulaC19H18BrNO5
Molecular Weight420.26 g/mol
Exact Mass419.04
IUPAC Name4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2noc(-c3ccc(OC)c(OC)c3)c2Br)cc1OC
InChIInChI=1S/C19H18BrNO5/c1-22-13-7-5-11(9-15(13)24-3)18-17(20)19(26-21-18)12-6-8-14(23-2)16(10-12)25-4/h5-10H,1-4H3
InChIKeyRIUMNVIOZHKSOJ-UHFFFAOYSA-N
XLogP4.81
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868155
4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine
CID 79555784
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
4-bromo-5-(3,4-diethoxyphenyl)-1,2-oxazol-3-amine
CID 79556122
5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
CID 86000885
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
2-bromo-1-[3-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 46741261
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82290574
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
3,5-bis(3,4-dimethoxyphenyl)-1,2,4-selenadiazole
CID 11327190
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861722
4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 151726229

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole (CID 19585869) is 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole is COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3)c2Br)cc1OC.
What is the InChIKey of 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole?
The InChIKey is RIUMNVIOZHKSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO5/c1-22-13-7-5-11(9-15(13)24-3)18-17(20)19(26-21-18)12-6-8-14(23-2)16(10-12)25-4/h5-10H,1-4H3.
What are the key properties of 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole?
4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole has a molecular weight of 420.26 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 19585869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).