2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide

C6H6F2N2O2 — CID 107168198

IUPAC2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
SMILESO=C(NCc1ccno1)C(F)F
InChIInChI=1S/C6H6F2N2O2/c7-5(8)6(11)9-3-4-1-2-10-12-4/h1-2,5H,3H2,(H,9,11)
InChIKeyNCNWYSMZLXMBKP-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.56
Rot. Bonds3

About 2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide

2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide (PubChem CID 107168198) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
PubChem CID107168198
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
SMILESO=C(NCc1ccno1)C(F)F
InChIInChI=1S/C6H6F2N2O2/c7-5(8)6(11)9-3-4-1-2-10-12-4/h1-2,5H,3H2,(H,9,11)
InChIKeyNCNWYSMZLXMBKP-UHFFFAOYSA-N
XLogP0.56
TPSA55.13 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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide (CID 107168198) is 2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide is O=C(NCc1ccno1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide?
The InChIKey is NCNWYSMZLXMBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c7-5(8)6(11)9-3-4-1-2-10-12-4/h1-2,5H,3H2,(H,9,11).
What are the key properties of 2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide?
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide has a molecular weight of 176.12 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide is sourced from PubChem (CID 107168198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).