2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole

C12H12BrNO2 — CID 82489419

IUPAC2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
SMILESCOc1ccc(Br)cc1-c1nc(C)c(C)o1
InChIInChI=1S/C12H12BrNO2/c1-7-8(2)16-12(14-7)10-6-9(13)4-5-11(10)15-3/h4-6H,1-3H3
InChIKeyWGRWUWTYWGTNPL-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.73
Rot. Bonds2

About 2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole

2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole (PubChem CID 82489419) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
PubChem CID82489419
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
SMILESCOc1ccc(Br)cc1-c1nc(C)c(C)o1
InChIInChI=1S/C12H12BrNO2/c1-7-8(2)16-12(14-7)10-6-9(13)4-5-11(10)15-3/h4-6H,1-3H3
InChIKeyWGRWUWTYWGTNPL-UHFFFAOYSA-N
XLogP3.73
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489418
4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
CID 116832589
2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole
CID 82184372
5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline
CID 54968321
2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887531
3-(5-bromo-2-methoxyphenyl)-4-methyl-1,2-oxazol-5-amine
CID 82134756
1-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 15988596
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
1-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 16875971
3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole
CID 82489434
2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
CID 116892562
[2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887788

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole (CID 82489419) is 2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole is COc1ccc(Br)cc1-c1nc(C)c(C)o1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole?
The InChIKey is WGRWUWTYWGTNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-7-8(2)16-12(14-7)10-6-9(13)4-5-11(10)15-3/h4-6H,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole?
2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole has a molecular weight of 282.14 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 82489419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).