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

C6H5F2NO3 — CID 84767238

IUPAC2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(C(F)F)o1
InChIInChI=1S/C6H5F2NO3/c7-6(8)3-2-9-4(12-3)1-5(10)11/h2,6H,1H2,(H,10,11)
InChIKeyLFIAIUSSURJYFC-UHFFFAOYSA-N
MW177.11 g/mol
LogP1.24
Rot. Bonds3

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

2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid (PubChem CID 84767238) has the molecular formula C6H5F2NO3 and a molecular weight of 177.11 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid
PubChem CID84767238
Molecular FormulaC6H5F2NO3
Molecular Weight177.11 g/mol
Exact Mass177.02
IUPAC Name2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(C(F)F)o1
InChIInChI=1S/C6H5F2NO3/c7-6(8)3-2-9-4(12-3)1-5(10)11/h2,6H,1H2,(H,10,11)
InChIKeyLFIAIUSSURJYFC-UHFFFAOYSA-N
XLogP1.24
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.11
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid (CID 84767238) is 2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid is O=C(O)Cc1ncc(C(F)F)o1.
What is the InChIKey of 2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid?
The InChIKey is LFIAIUSSURJYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3/c7-6(8)3-2-9-4(12-3)1-5(10)11/h2,6H,1H2,(H,10,11).
What are the key properties of 2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid?
2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid has a molecular weight of 177.11 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 84767238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).