2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide

C11H8ClFN2O2 — CID 45030874

IUPAC2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide
SMILESO=C(CCl)Nc1oncc1-c1ccc(F)cc1
InChIInChI=1S/C11H8ClFN2O2/c12-5-10(16)15-11-9(6-14-17-11)7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,15,16)
InChIKeyOPIBTNITOHFBDV-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.66
Rot. Bonds3

About 2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide

2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 45030874) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID45030874
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide
SMILESO=C(CCl)Nc1oncc1-c1ccc(F)cc1
InChIInChI=1S/C11H8ClFN2O2/c12-5-10(16)15-11-9(6-14-17-11)7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,15,16)
InChIKeyOPIBTNITOHFBDV-UHFFFAOYSA-N
XLogP2.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.66
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-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide (CID 45030874) is 2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide is O=C(CCl)Nc1oncc1-c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is OPIBTNITOHFBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c12-5-10(16)15-11-9(6-14-17-11)7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,15,16).
What are the key properties of 2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide?
2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 254.65 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 45030874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).