2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid

C6H4F3NO3 — CID 2333001

IUPAC2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)on1
InChIInChI=1S/C6H4F3NO3/c7-6(8,9)4-1-3(10-13-4)2-5(11)12/h1H,2H2,(H,11,12)
InChIKeyPWRWAHNRFUWSCG-UHFFFAOYSA-N
MW195.10 g/mol
LogP1.32
Rot. Bonds2

About 2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid

2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid (PubChem CID 2333001) has the molecular formula C6H4F3NO3 and a molecular weight of 195.10 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid
PubChem CID2333001
Molecular FormulaC6H4F3NO3
Molecular Weight195.10 g/mol
Exact Mass195.01
IUPAC Name2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)on1
InChIInChI=1S/C6H4F3NO3/c7-6(8,9)4-1-3(10-13-4)2-5(11)12/h1H,2H2,(H,11,12)
InChIKeyPWRWAHNRFUWSCG-UHFFFAOYSA-N
XLogP1.32
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid (CID 2333001) is 2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid is O=C(O)Cc1cc(C(F)(F)F)on1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid?
The InChIKey is PWRWAHNRFUWSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3/c7-6(8,9)4-1-3(10-13-4)2-5(11)12/h1H,2H2,(H,11,12).
What are the key properties of 2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid?
2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid has a molecular weight of 195.10 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetic acid is sourced from PubChem (CID 2333001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).