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

C10H4ClF4NO2 — CID 71226998

IUPAC2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole
SMILESFc1cc(-c2cnc(Cl)o2)ccc1OC(F)(F)F
InChIInChI=1S/C10H4ClF4NO2/c11-9-16-4-8(17-9)5-1-2-7(6(12)3-5)18-10(13,14)15/h1-4H
InChIKeyKCBVYLHISMYOAO-UHFFFAOYSA-N
MW281.59 g/mol
LogP4.03
Rot. Bonds2

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

2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole (PubChem CID 71226998) has the molecular formula C10H4ClF4NO2 and a molecular weight of 281.59 g/mol. Its IUPAC name is 2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole
PubChem CID71226998
Molecular FormulaC10H4ClF4NO2
Molecular Weight281.59 g/mol
Exact Mass280.99
IUPAC Name2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole
SMILESFc1cc(-c2cnc(Cl)o2)ccc1OC(F)(F)F
InChIInChI=1S/C10H4ClF4NO2/c11-9-16-4-8(17-9)5-1-2-7(6(12)3-5)18-10(13,14)15/h1-4H
InChIKeyKCBVYLHISMYOAO-UHFFFAOYSA-N
XLogP4.03
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.59
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole?
The IUPAC name of 2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole (CID 71226998) is 2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole?
The canonical SMILES for 2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole is Fc1cc(-c2cnc(Cl)o2)ccc1OC(F)(F)F.
What is the InChIKey of 2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole?
The InChIKey is KCBVYLHISMYOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF4NO2/c11-9-16-4-8(17-9)5-1-2-7(6(12)3-5)18-10(13,14)15/h1-4H.
What are the key properties of 2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole?
2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole has a molecular weight of 281.59 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole is sourced from PubChem (CID 71226998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).