3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C8H8F2N2O4 — CID 107370004

IUPAC3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCN(CC(F)F)C(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C8H8F2N2O4/c1-12(3-6(9)10)7(13)4-2-5(8(14)15)16-11-4/h2,6H,3H2,1H3,(H,14,15)
InChIKeyXEEHZCXOLQFNDO-UHFFFAOYSA-N
MW234.16 g/mol
LogP0.71
Rot. Bonds4

About 3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107370004) has the molecular formula C8H8F2N2O4 and a molecular weight of 234.16 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107370004
Molecular FormulaC8H8F2N2O4
Molecular Weight234.16 g/mol
Exact Mass234.05
IUPAC Name3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCN(CC(F)F)C(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C8H8F2N2O4/c1-12(3-6(9)10)7(13)4-2-5(8(14)15)16-11-4/h2,6H,3H2,1H3,(H,14,15)
InChIKeyXEEHZCXOLQFNDO-UHFFFAOYSA-N
XLogP0.71
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369205
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089
3-[2-cyanoethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369125
3-[methyl(2-pyridin-4-ylethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369258
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369479
4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104893092
3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369276
3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369445
3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369864
3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369216
3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369491
3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369440

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107370004) is 3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CN(CC(F)F)C(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is XEEHZCXOLQFNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4/c1-12(3-6(9)10)7(13)4-2-5(8(14)15)16-11-4/h2,6H,3H2,1H3,(H,14,15).
What are the key properties of 3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 234.16 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107370004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).