2-bromo-5-(3-bromophenyl)-1,3-oxazole

C9H5Br2NO — CID 117259582

IUPAC2-bromo-5-(3-bromophenyl)-1,3-oxazole
SMILESBrc1cccc(-c2cnc(Br)o2)c1
InChIInChI=1S/C9H5Br2NO/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H
InChIKeyGRRQQGLNEAAMBP-UHFFFAOYSA-N
MW302.95 g/mol
LogP3.87
Rot. Bonds1

About 2-bromo-5-(3-bromophenyl)-1,3-oxazole

2-bromo-5-(3-bromophenyl)-1,3-oxazole (PubChem CID 117259582) has the molecular formula C9H5Br2NO and a molecular weight of 302.95 g/mol. Its IUPAC name is 2-bromo-5-(3-bromophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-(3-bromophenyl)-1,3-oxazole
PubChem CID117259582
Molecular FormulaC9H5Br2NO
Molecular Weight302.95 g/mol
Exact Mass300.87
IUPAC Name2-bromo-5-(3-bromophenyl)-1,3-oxazole
SMILESBrc1cccc(-c2cnc(Br)o2)c1
InChIInChI=1S/C9H5Br2NO/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H
InChIKeyGRRQQGLNEAAMBP-UHFFFAOYSA-N
XLogP3.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.95
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole
CID 71734450
1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179063
5-(3-bromophenyl)-1,2-oxazole
CID 2735607
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 111487788
5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84715623
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
CID 111487479
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
CID 100510592
2-(3-bromophenyl)pyrimidine
CID 26967381
2-bromo-5-(4-methoxyphenyl)-1,3-oxazole
CID 117259601
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide
CID 100510992
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
CID 100511057
1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907505

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-bromophenyl)-1,3-oxazole?
The IUPAC name of 2-bromo-5-(3-bromophenyl)-1,3-oxazole (CID 117259582) is 2-bromo-5-(3-bromophenyl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-(3-bromophenyl)-1,3-oxazole?
The canonical SMILES for 2-bromo-5-(3-bromophenyl)-1,3-oxazole is Brc1cccc(-c2cnc(Br)o2)c1.
What is the InChIKey of 2-bromo-5-(3-bromophenyl)-1,3-oxazole?
The InChIKey is GRRQQGLNEAAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H.
What are the key properties of 2-bromo-5-(3-bromophenyl)-1,3-oxazole?
2-bromo-5-(3-bromophenyl)-1,3-oxazole has a molecular weight of 302.95 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-bromophenyl)-1,3-oxazole is sourced from PubChem (CID 117259582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).