5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole

C18H16BrNO4 — CID 162652362

IUPAC5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(OC)c(-c2cc(-c3ccc(Br)cc3)on2)c(OC)c1
InChIInChI=1S/C18H16BrNO4/c1-21-13-8-16(22-2)18(17(9-13)23-3)14-10-15(24-20-14)11-4-6-12(19)7-5-11/h4-10H,1-3H3
InChIKeyKWTBSVKJHIPXEP-UHFFFAOYSA-N
MW390.23 g/mol
LogP4.80
Rot. Bonds5

About 5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole

5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole (PubChem CID 162652362) has the molecular formula C18H16BrNO4 and a molecular weight of 390.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole
PubChem CID162652362
Molecular FormulaC18H16BrNO4
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(OC)c(-c2cc(-c3ccc(Br)cc3)on2)c(OC)c1
InChIInChI=1S/C18H16BrNO4/c1-21-13-8-16(22-2)18(17(9-13)23-3)14-10-15(24-20-14)11-4-6-12(19)7-5-11/h4-10H,1-3H3
InChIKeyKWTBSVKJHIPXEP-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole (CID 162652362) is 5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole is COc1cc(OC)c(-c2cc(-c3ccc(Br)cc3)on2)c(OC)c1.
What is the InChIKey of 5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is KWTBSVKJHIPXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO4/c1-21-13-8-16(22-2)18(17(9-13)23-3)14-10-15(24-20-14)11-4-6-12(19)7-5-11/h4-10H,1-3H3.
What are the key properties of 5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole?
5-(4-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-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-bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 162652362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).