2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide

C7H5F5N2O2 — CID 106423353

IUPAC2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide
SMILESO=C(NCc1ccno1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F5N2O2/c8-6(9,7(10,11)12)5(15)13-3-4-1-2-14-16-4/h1-2H,3H2,(H,13,15)
InChIKeyPVSXHICSURQJHX-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.49
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide

2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide (PubChem CID 106423353) has the molecular formula C7H5F5N2O2 and a molecular weight of 244.12 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide
PubChem CID106423353
Molecular FormulaC7H5F5N2O2
Molecular Weight244.12 g/mol
Exact Mass244.03
IUPAC Name2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide
SMILESO=C(NCc1ccno1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F5N2O2/c8-6(9,7(10,11)12)5(15)13-3-4-1-2-14-16-4/h1-2H,3H2,(H,13,15)
InChIKeyPVSXHICSURQJHX-UHFFFAOYSA-N
XLogP1.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide (CID 106423353) is 2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide is O=C(NCc1ccno1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide?
The InChIKey is PVSXHICSURQJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O2/c8-6(9,7(10,11)12)5(15)13-3-4-1-2-14-16-4/h1-2H,3H2,(H,13,15).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide?
2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide has a molecular weight of 244.12 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide is sourced from PubChem (CID 106423353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).