4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole

C7H7Br2NO — CID 89401907

IUPAC4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C=C(Br)Br
InChIInChI=1S/C7H7Br2NO/c1-4-6(3-7(8)9)5(2)11-10-4/h3H,1-2H3
InChIKeyYISKASIEJNZSDI-UHFFFAOYSA-N
MW280.95 g/mol
LogP3.38
Rot. Bonds1

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

4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 89401907) has the molecular formula C7H7Br2NO and a molecular weight of 280.95 g/mol. Its IUPAC name is 4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole
PubChem CID89401907
Molecular FormulaC7H7Br2NO
Molecular Weight280.95 g/mol
Exact Mass278.89
IUPAC Name4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C=C(Br)Br
InChIInChI=1S/C7H7Br2NO/c1-4-6(3-7(8)9)5(2)11-10-4/h3H,1-2H3
InChIKeyYISKASIEJNZSDI-UHFFFAOYSA-N
XLogP3.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole (CID 89401907) is 4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1C=C(Br)Br.
What is the InChIKey of 4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is YISKASIEJNZSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NO/c1-4-6(3-7(8)9)5(2)11-10-4/h3H,1-2H3.
What are the key properties of 4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole?
4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 280.95 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 89401907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).