N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide

C18H15FN2O2 — CID 71821585

IUPACN-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c19-16-8-6-14(7-9-16)18-15(12-21-23-18)11-20-17(22)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyVTQMHJBIBVWGLT-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.34
Rot. Bonds5

About N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide

N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide (PubChem CID 71821585) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide
PubChem CID71821585
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c19-16-8-6-14(7-9-16)18-15(12-21-23-18)11-20-17(22)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyVTQMHJBIBVWGLT-UHFFFAOYSA-N
XLogP3.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide (CID 71821585) is N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCc1cnoc1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide?
The InChIKey is VTQMHJBIBVWGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-16-8-6-14(7-9-16)18-15(12-21-23-18)11-20-17(22)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22).
What are the key properties of N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide?
N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide has a molecular weight of 310.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 71821585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).