4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide

C6H6F2N2O2 — CID 156895385

IUPAC4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1nocc1CC(F)F
InChIInChI=1S/C6H6F2N2O2/c7-4(8)1-3-2-12-10-5(3)6(9)11/h2,4H,1H2,(H2,9,11)
InChIKeySYRIPBQZCDWWOW-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.58
Rot. Bonds3

About 4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide

4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide (PubChem CID 156895385) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide
PubChem CID156895385
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1nocc1CC(F)F
InChIInChI=1S/C6H6F2N2O2/c7-4(8)1-3-2-12-10-5(3)6(9)11/h2,4H,1H2,(H2,9,11)
InChIKeySYRIPBQZCDWWOW-UHFFFAOYSA-N
XLogP0.58
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide (CID 156895385) is 4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide is NC(=O)c1nocc1CC(F)F.
What is the InChIKey of 4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SYRIPBQZCDWWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c7-4(8)1-3-2-12-10-5(3)6(9)11/h2,4H,1H2,(H2,9,11).
What are the key properties of 4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide?
4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 176.12 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 156895385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).