2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide

C6H6ClFN2O2 — CID 167975572

IUPAC2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide
SMILESO=C(NCc1cnco1)C(F)Cl
InChIInChI=1S/C6H6ClFN2O2/c7-5(8)6(11)10-2-4-1-9-3-12-4/h1,3,5H,2H2,(H,10,11)
InChIKeyBAZOZIGEUUQWBR-UHFFFAOYSA-N
MW192.58 g/mol
LogP0.83
Rot. Bonds3

About 2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide

2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide (PubChem CID 167975572) has the molecular formula C6H6ClFN2O2 and a molecular weight of 192.58 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide
PubChem CID167975572
Molecular FormulaC6H6ClFN2O2
Molecular Weight192.58 g/mol
Exact Mass192.01
IUPAC Name2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide
SMILESO=C(NCc1cnco1)C(F)Cl
InChIInChI=1S/C6H6ClFN2O2/c7-5(8)6(11)10-2-4-1-9-3-12-4/h1,3,5H,2H2,(H,10,11)
InChIKeyBAZOZIGEUUQWBR-UHFFFAOYSA-N
XLogP0.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.58
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide (CID 167975572) is 2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide is O=C(NCc1cnco1)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide?
The InChIKey is BAZOZIGEUUQWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O2/c7-5(8)6(11)10-2-4-1-9-3-12-4/h1,3,5H,2H2,(H,10,11).
What are the key properties of 2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide?
2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide has a molecular weight of 192.58 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide is sourced from PubChem (CID 167975572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).