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

C18H16BrNO4 — CID 58178267

IUPAC4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(OC)c(-c2nocc2-c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C18H16BrNO4/c1-21-15-9-17(23-3)16(22-2)8-13(15)18-14(10-24-20-18)11-4-6-12(19)7-5-11/h4-10H,1-3H3
InChIKeyUQEHBCMWMHRPKL-UHFFFAOYSA-N
MW390.23 g/mol
LogP4.80
Rot. Bonds5

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

4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 58178267) has the molecular formula C18H16BrNO4 and a molecular weight of 390.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID58178267
Molecular FormulaC18H16BrNO4
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(OC)c(-c2nocc2-c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C18H16BrNO4/c1-21-15-9-17(23-3)16(22-2)8-13(15)18-14(10-24-20-18)11-4-6-12(19)7-5-11/h4-10H,1-3H3
InChIKeyUQEHBCMWMHRPKL-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

4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58178281
10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene
CID 71007051
4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
CID 58178080
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58177948
4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58712207
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
1-[4-(4-bromophenyl)-1,2-oxazol-3-yl]ethanone
CID 105423850
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
4-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 135391735
4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole
CID 58178174
4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
CID 58178328

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole (CID 58178267) is 4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole is COc1cc(OC)c(-c2nocc2-c2ccc(Br)cc2)cc1OC.
What is the InChIKey of 4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is UQEHBCMWMHRPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO4/c1-21-15-9-17(23-3)16(22-2)8-13(15)18-14(10-24-20-18)11-4-6-12(19)7-5-11/h4-10H,1-3H3.
What are the key properties of 4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole?
4-(4-bromophenyl)-3-(2,4,5-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 4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 58178267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).