2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole

C10H9Br2NO — CID 173153004

IUPAC2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole
SMILESCC1C=C(c2ccc(Br)cc2)N(Br)O1
InChIInChI=1S/C10H9Br2NO/c1-7-6-10(13(12)14-7)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKeyMHFDLKRNHCDQCE-UHFFFAOYSA-N
MW319.00 g/mol
LogP3.74
Rot. Bonds1

About 2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole

2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole (PubChem CID 173153004) has the molecular formula C10H9Br2NO and a molecular weight of 319.00 g/mol. Its IUPAC name is 2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole.

Molecular Properties

Compound Name2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole
PubChem CID173153004
Molecular FormulaC10H9Br2NO
Molecular Weight319.00 g/mol
Exact Mass316.91
IUPAC Name2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole
SMILESCC1C=C(c2ccc(Br)cc2)N(Br)O1
InChIInChI=1S/C10H9Br2NO/c1-7-6-10(13(12)14-7)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKeyMHFDLKRNHCDQCE-UHFFFAOYSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.00
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole?
The IUPAC name of 2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole (CID 173153004) is 2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole.
What is the SMILES notation for 2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole?
The canonical SMILES for 2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole is CC1C=C(c2ccc(Br)cc2)N(Br)O1.
What is the InChIKey of 2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole?
The InChIKey is MHFDLKRNHCDQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO/c1-7-6-10(13(12)14-7)8-2-4-9(11)5-3-8/h2-7H,1H3.
What are the key properties of 2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole?
2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole has a molecular weight of 319.00 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-bromophenyl)-5-methyl-5H-1,2-oxazole is sourced from PubChem (CID 173153004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).