5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol

C10H8BrF2NO2 — CID 142608920

IUPAC5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)Br)CC(c2ccccc2)=NO1
InChIInChI=1S/C10H8BrF2NO2/c11-10(12,13)9(15)6-8(14-16-9)7-4-2-1-3-5-7/h1-5,15H,6H2
InChIKeyDBUCUPXZKRZNNS-UHFFFAOYSA-N
MW292.08 g/mol
LogP2.49
Rot. Bonds2

About 5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol

5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol (PubChem CID 142608920) has the molecular formula C10H8BrF2NO2 and a molecular weight of 292.08 g/mol. Its IUPAC name is 5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol
PubChem CID142608920
Molecular FormulaC10H8BrF2NO2
Molecular Weight292.08 g/mol
Exact Mass290.97
IUPAC Name5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)Br)CC(c2ccccc2)=NO1
InChIInChI=1S/C10H8BrF2NO2/c11-10(12,13)9(15)6-8(14-16-9)7-4-2-1-3-5-7/h1-5,15H,6H2
InChIKeyDBUCUPXZKRZNNS-UHFFFAOYSA-N
XLogP2.49
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol (CID 142608920) is 5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol is OC1(C(F)(F)Br)CC(c2ccccc2)=NO1.
What is the InChIKey of 5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol?
The InChIKey is DBUCUPXZKRZNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2NO2/c11-10(12,13)9(15)6-8(14-16-9)7-4-2-1-3-5-7/h1-5,15H,6H2.
What are the key properties of 5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol?
5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol has a molecular weight of 292.08 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo(difluoro)methyl]-3-phenyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 142608920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).