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

C19H18BrNO5 — CID 58178030

IUPAC5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2cnoc2-c2ccc(Br)cc2)c(OC)c(OC)c1OC
InChIInChI=1S/C19H18BrNO5/c1-22-15-9-13(17(23-2)19(25-4)18(15)24-3)14-10-21-26-16(14)11-5-7-12(20)8-6-11/h5-10H,1-4H3
InChIKeyBMINATYNWUTRBD-UHFFFAOYSA-N
MW420.26 g/mol
LogP4.81
Rot. Bonds6

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

5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole (PubChem CID 58178030) has the molecular formula C19H18BrNO5 and a molecular weight of 420.26 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
PubChem CID58178030
Molecular FormulaC19H18BrNO5
Molecular Weight420.26 g/mol
Exact Mass419.04
IUPAC Name5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2cnoc2-c2ccc(Br)cc2)c(OC)c(OC)c1OC
InChIInChI=1S/C19H18BrNO5/c1-22-15-9-13(17(23-2)19(25-4)18(15)24-3)14-10-21-26-16(14)11-5-7-12(20)8-6-11/h5-10H,1-4H3
InChIKeyBMINATYNWUTRBD-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

2-Methoxy-5-(5-(3,4,5-trimethoxyphenyl)isoxazol-4-yl)phenol
CID 15949283
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)isoxazole
CID 44439006
4-(4-Methoxy-phenyl)-5-(3,4,5-trimethoxy-phenyl)-isoxazole
CID 44439004
4,5-Bis(3,4-dimethoxyphenyl)isoxazole
CID 373704
2-Methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]phenol
CID 44439007
2-[4-(4-Bromophenyl)-5-isoxazolyl]-4-ethyl-5-methoxyphenol
CID 5197033
6,7,8-Trimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
CID 304653
4-(4-Fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 70693208
5-(4-Bromophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole
CID 162652362
4-(3,4,5-Trimethoxyphenyl)-1,2-benzoxazole
CID 170556515
4-(4-Methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole
CID 53325768
5-(4-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 172435919

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole (CID 58178030) is 5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole is COc1cc(-c2cnoc2-c2ccc(Br)cc2)c(OC)c(OC)c1OC.
What is the InChIKey of 5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole?
The InChIKey is BMINATYNWUTRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO5/c1-22-15-9-13(17(23-2)19(25-4)18(15)24-3)14-10-21-26-16(14)11-5-7-12(20)8-6-11/h5-10H,1-4H3.
What are the key properties of 5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole?
5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-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 5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 58178030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).