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

C10H8BrNO2 — CID 117259601

IUPAC2-bromo-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(Br)o2)cc1
InChIInChI=1S/C10H8BrNO2/c1-13-8-4-2-7(3-5-8)9-6-12-10(11)14-9/h2-6H,1H3
InChIKeyWEDWCAKNECDLNG-UHFFFAOYSA-N
MW254.08 g/mol
LogP3.11
Rot. Bonds2

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

2-bromo-5-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 117259601) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 2-bromo-5-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-(4-methoxyphenyl)-1,3-oxazole
PubChem CID117259601
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name2-bromo-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(Br)o2)cc1
InChIInChI=1S/C10H8BrNO2/c1-13-8-4-2-7(3-5-8)9-6-12-10(11)14-9/h2-6H,1H3
InChIKeyWEDWCAKNECDLNG-UHFFFAOYSA-N
XLogP3.11
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole
CID 146168552
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
CID 10422311
2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 58157224
5-(4-methoxyphenyl)-2-[[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 166197592
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102345414
5-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-oxazole
CID 928446
2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 102314201
5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-1,3-oxazole
CID 12639615
N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183905
4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-2-amine
CID 71401542
5-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylaniline
CID 143054394

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-bromo-5-(4-methoxyphenyl)-1,3-oxazole (CID 117259601) is 2-bromo-5-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-bromo-5-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2cnc(Br)o2)cc1.
What is the InChIKey of 2-bromo-5-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is WEDWCAKNECDLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-13-8-4-2-7(3-5-8)9-6-12-10(11)14-9/h2-6H,1H3.
What are the key properties of 2-bromo-5-(4-methoxyphenyl)-1,3-oxazole?
2-bromo-5-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 254.08 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 117259601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).