2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole

C10H5ClF3NO — CID 71060395

IUPAC2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(-c2cnc(Cl)o2)cc1
InChIInChI=1S/C10H5ClF3NO/c11-9-15-5-8(16-9)6-1-3-7(4-2-6)10(12,13)14/h1-5H
InChIKeyZHDYCOZXSGWVIR-UHFFFAOYSA-N
MW247.60 g/mol
LogP4.01
Rot. Bonds1

About 2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole

2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 71060395) has the molecular formula C10H5ClF3NO and a molecular weight of 247.60 g/mol. Its IUPAC name is 2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID71060395
Molecular FormulaC10H5ClF3NO
Molecular Weight247.60 g/mol
Exact Mass247.00
IUPAC Name2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(-c2cnc(Cl)o2)cc1
InChIInChI=1S/C10H5ClF3NO/c11-9-15-5-8(16-9)6-1-3-7(4-2-6)10(12,13)14/h1-5H
InChIKeyZHDYCOZXSGWVIR-UHFFFAOYSA-N
XLogP4.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 71060395) is 2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole is FC(F)(F)c1ccc(-c2cnc(Cl)o2)cc1.
What is the InChIKey of 2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is ZHDYCOZXSGWVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO/c11-9-15-5-8(16-9)6-1-3-7(4-2-6)10(12,13)14/h1-5H.
What are the key properties of 2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 247.60 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 71060395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).