2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid

C8H9F2NO3 — CID 84778164

IUPAC2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1nc(C(F)F)co1
InChIInChI=1S/C8H9F2NO3/c1-8(2,7(12)13)6-11-4(3-14-6)5(9)10/h3,5H,1-2H3,(H,12,13)
InChIKeyIPPQSIGIRBBZSG-UHFFFAOYSA-N
MW205.16 g/mol
LogP1.97
Rot. Bonds3

About 2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid

2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid (PubChem CID 84778164) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid
PubChem CID84778164
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1nc(C(F)F)co1
InChIInChI=1S/C8H9F2NO3/c1-8(2,7(12)13)6-11-4(3-14-6)5(9)10/h3,5H,1-2H3,(H,12,13)
InChIKeyIPPQSIGIRBBZSG-UHFFFAOYSA-N
XLogP1.97
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid (CID 84778164) is 2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1nc(C(F)F)co1.
What is the InChIKey of 2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid?
The InChIKey is IPPQSIGIRBBZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-8(2,7(12)13)6-11-4(3-14-6)5(9)10/h3,5H,1-2H3,(H,12,13).
What are the key properties of 2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid?
2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid has a molecular weight of 205.16 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid is sourced from PubChem (CID 84778164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).