5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol

C10H8BrF2NO2 — CID 141159128

IUPAC5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol
SMILESOC1(Br)ON=C(c2ccccc2)C1C(F)F
InChIInChI=1S/C10H8BrF2NO2/c11-10(15)7(9(12)13)8(14-16-10)6-4-2-1-3-5-6/h1-5,7,9,15H
InChIKeySJKQVKSLOGODJY-UHFFFAOYSA-N
MW292.08 g/mol
LogP2.34
Rot. Bonds2

About 5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol

5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol (PubChem CID 141159128) has the molecular formula C10H8BrF2NO2 and a molecular weight of 292.08 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol
PubChem CID141159128
Molecular FormulaC10H8BrF2NO2
Molecular Weight292.08 g/mol
Exact Mass290.97
IUPAC Name5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol
SMILESOC1(Br)ON=C(c2ccccc2)C1C(F)F
InChIInChI=1S/C10H8BrF2NO2/c11-10(15)7(9(12)13)8(14-16-10)6-4-2-1-3-5-6/h1-5,7,9,15H
InChIKeySJKQVKSLOGODJY-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol (CID 141159128) is 5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol is OC1(Br)ON=C(c2ccccc2)C1C(F)F.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol?
The InChIKey is SJKQVKSLOGODJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2NO2/c11-10(15)7(9(12)13)8(14-16-10)6-4-2-1-3-5-6/h1-5,7,9,15H.
What are the key properties of 5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol?
5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol has a molecular weight of 292.08 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 141159128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).