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

C12H12BrNO2 — CID 82489418

IUPAC2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(C)c(C)o2)cc1Br
InChIInChI=1S/C12H12BrNO2/c1-7-8(2)16-12(14-7)9-4-5-11(15-3)10(13)6-9/h4-6H,1-3H3
InChIKeyZMMCVDYXWBRFLZ-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.73
Rot. Bonds2

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

2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole (PubChem CID 82489418) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
PubChem CID82489418
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(C)c(C)o2)cc1Br
InChIInChI=1S/C12H12BrNO2/c1-7-8(2)16-12(14-7)9-4-5-11(15-3)10(13)6-9/h4-6H,1-3H3
InChIKeyZMMCVDYXWBRFLZ-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-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489419
4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
CID 115051830
2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
CID 114771100
2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 54910238
4,6-dibromo-2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-amine
CID 50881708
2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid
CID 81334050
2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole
CID 166198597
methyl 5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619105
2-(3-bromo-4-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole
CID 91674889
1-[5-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323783
[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156819
2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine
CID 21232276

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole (CID 82489418) is 2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole is COc1ccc(-c2nc(C)c(C)o2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole?
The InChIKey is ZMMCVDYXWBRFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-7-8(2)16-12(14-7)9-4-5-11(15-3)10(13)6-9/h4-6H,1-3H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole?
2-(3-bromo-4-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-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 82489418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).