2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid

C7H7F2NO3 — CID 130727392

IUPAC2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid
SMILESCC(F)(F)Cc1nc(C(=O)O)co1
InChIInChI=1S/C7H7F2NO3/c1-7(8,9)2-5-10-4(3-13-5)6(11)12/h3H,2H2,1H3,(H,11,12)
InChIKeyNSEOSNVQWANQMH-UHFFFAOYSA-N
MW191.13 g/mol
LogP1.57
Rot. Bonds3

About 2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid

2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 130727392) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is 2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid
PubChem CID130727392
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Name2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid
SMILESCC(F)(F)Cc1nc(C(=O)O)co1
InChIInChI=1S/C7H7F2NO3/c1-7(8,9)2-5-10-4(3-13-5)6(11)12/h3H,2H2,1H3,(H,11,12)
InChIKeyNSEOSNVQWANQMH-UHFFFAOYSA-N
XLogP1.57
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid (CID 130727392) is 2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid is CC(F)(F)Cc1nc(C(=O)O)co1.
What is the InChIKey of 2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is NSEOSNVQWANQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3/c1-7(8,9)2-5-10-4(3-13-5)6(11)12/h3H,2H2,1H3,(H,11,12).
What are the key properties of 2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid?
2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 191.13 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 130727392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).