5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole

C10H4F5NO — CID 91335838

IUPAC5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(C(F)(F)F)o2)cc1F
InChIInChI=1S/C10H4F5NO/c11-6-2-1-5(3-7(6)12)8-4-16-9(17-8)10(13,14)15/h1-4H
InChIKeyVVXHKMAPSOLSIJ-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.64
Rot. Bonds1

About 5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole

5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 91335838) has the molecular formula C10H4F5NO and a molecular weight of 249.14 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole
PubChem CID91335838
Molecular FormulaC10H4F5NO
Molecular Weight249.14 g/mol
Exact Mass249.02
IUPAC Name5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(C(F)(F)F)o2)cc1F
InChIInChI=1S/C10H4F5NO/c11-6-2-1-5(3-7(6)12)8-4-16-9(17-8)10(13,14)15/h1-4H
InChIKeyVVXHKMAPSOLSIJ-UHFFFAOYSA-N
XLogP3.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole (CID 91335838) is 5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole is Fc1ccc(-c2cnc(C(F)(F)F)o2)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is VVXHKMAPSOLSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F5NO/c11-6-2-1-5(3-7(6)12)8-4-16-9(17-8)10(13,14)15/h1-4H.
What are the key properties of 5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole?
5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 249.14 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 91335838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).