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

C6H5F2NO3 — CID 121256126

IUPAC2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)on1
InChIInChI=1S/C6H5F2NO3/c7-6(8)4-1-3(9-12-4)2-5(10)11/h1,6H,2H2,(H,10,11)
InChIKeyNQPOAGRIQYOWAT-UHFFFAOYSA-N
MW177.11 g/mol
LogP1.24
Rot. Bonds3

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

2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid (PubChem CID 121256126) has the molecular formula C6H5F2NO3 and a molecular weight of 177.11 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid
PubChem CID121256126
Molecular FormulaC6H5F2NO3
Molecular Weight177.11 g/mol
Exact Mass177.02
IUPAC Name2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)on1
InChIInChI=1S/C6H5F2NO3/c7-6(8)4-1-3(9-12-4)2-5(10)11/h1,6H,2H2,(H,10,11)
InChIKeyNQPOAGRIQYOWAT-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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Related Compounds

2-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]acetic acid
CID 28808487
2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]acetic acid
CID 170986238
2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130095685
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 118800091
2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077721
2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130070460
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130096523
2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 119004828
2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 119015163

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid (CID 121256126) is 2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid is O=C(O)Cc1cc(C(F)F)on1.
What is the InChIKey of 2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid?
The InChIKey is NQPOAGRIQYOWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3/c7-6(8)4-1-3(9-12-4)2-5(10)11/h1,6H,2H2,(H,10,11).
What are the key properties of 2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid?
2-[5-(difluoromethyl)-1,2-oxazol-3-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)-1,2-oxazol-3-yl]acetic acid is sourced from PubChem (CID 121256126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).