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

C12H12BrNO2 — CID 115051830

IUPAC4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(C)oc2C)cc1Br
InChIInChI=1S/C12H12BrNO2/c1-7-12(14-8(2)16-7)9-4-5-11(15-3)10(13)6-9/h4-6H,1-3H3
InChIKeyGQTIZQVKCSCNPP-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.73
Rot. Bonds2

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

4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole (PubChem CID 115051830) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
PubChem CID115051830
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(C)oc2C)cc1Br
InChIInChI=1S/C12H12BrNO2/c1-7-12(14-8(2)16-7)9-4-5-11(15-3)10(13)6-9/h4-6H,1-3H3
InChIKeyGQTIZQVKCSCNPP-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
2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol
CID 115049858
3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826928
2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
CID 114771100
[4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131866785
3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine
CID 112559163
[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867498
4,6-dibromo-2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-amine
CID 50881708
5-(3-bromo-4-methoxyphenyl)-2-(chloromethyl)-1,3-oxazole
CID 65179454
[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82134755
4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine
CID 115039437
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole (CID 115051830) is 4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole is COc1ccc(-c2nc(C)oc2C)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole?
The InChIKey is GQTIZQVKCSCNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-7-12(14-8(2)16-7)9-4-5-11(15-3)10(13)6-9/h4-6H,1-3H3.
What are the key properties of 4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole?
4-(3-bromo-4-methoxyphenyl)-2,5-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 4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 115051830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).