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

C19H17Br2NO5 — CID 10767664

IUPAC4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(Br)c(-c2cnoc2-c2cc(OC)c(OC)cc2Br)cc1OC
InChIInChI=1S/C19H17Br2NO5/c1-23-15-5-10(13(20)7-17(15)25-3)12-9-22-27-19(12)11-6-16(24-2)18(26-4)8-14(11)21/h5-9H,1-4H3
InChIKeyZKYVNRRTFPPGAP-UHFFFAOYSA-N
MW499.16 g/mol
LogP5.57
Rot. Bonds6

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

4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole (PubChem CID 10767664) has the molecular formula C19H17Br2NO5 and a molecular weight of 499.16 g/mol. Its IUPAC name is 4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole
PubChem CID10767664
Molecular FormulaC19H17Br2NO5
Molecular Weight499.16 g/mol
Exact Mass496.95
IUPAC Name4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(Br)c(-c2cnoc2-c2cc(OC)c(OC)cc2Br)cc1OC
InChIInChI=1S/C19H17Br2NO5/c1-23-15-5-10(13(20)7-17(15)25-3)12-9-22-27-19(12)11-6-16(24-2)18(26-4)8-14(11)21/h5-9H,1-4H3
InChIKeyZKYVNRRTFPPGAP-UHFFFAOYSA-N
XLogP5.57
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.16
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
CID 58178030
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine
CID 112559128
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
3,4-bis(2-bromo-4,5-dimethoxyphenyl)-1-methylpyrazole
CID 10553787
4-(2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 130439183
5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
CID 58178294
6-(2-bromo-4,5-dimethoxyphenyl)pyran-2-one
CID 141131705
1-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxy-2-nitrobenzene
CID 10408539
4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 151726229
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428577
[2-(2-bromo-4,5-dimethoxyphenyl)phenyl]boronic acid
CID 135042244

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole (CID 10767664) is 4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole is COc1cc(Br)c(-c2cnoc2-c2cc(OC)c(OC)cc2Br)cc1OC.
What is the InChIKey of 4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole?
The InChIKey is ZKYVNRRTFPPGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2NO5/c1-23-15-5-10(13(20)7-17(15)25-3)12-9-22-27-19(12)11-6-16(24-2)18(26-4)8-14(11)21/h5-9H,1-4H3.
What are the key properties of 4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole?
4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole has a molecular weight of 499.16 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 10767664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).