N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide

C11H6ClF3N2O2 — CID 13035540

IUPACN-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)on1)C(F)(F)F
InChIInChI=1S/C11H6ClF3N2O2/c12-7-3-1-6(2-4-7)8-5-9(17-19-8)16-10(18)11(13,14)15/h1-5H,(H,16,17,18)
InChIKeyNXEMCWUPWMIMHP-UHFFFAOYSA-N
MW290.63 g/mol
LogP3.50
Rot. Bonds2

About N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide

N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 13035540) has the molecular formula C11H6ClF3N2O2 and a molecular weight of 290.63 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide
PubChem CID13035540
Molecular FormulaC11H6ClF3N2O2
Molecular Weight290.63 g/mol
Exact Mass290.01
IUPAC NameN-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)on1)C(F)(F)F
InChIInChI=1S/C11H6ClF3N2O2/c12-7-3-1-6(2-4-7)8-5-9(17-19-8)16-10(18)11(13,14)15/h1-5H,(H,16,17,18)
InChIKeyNXEMCWUPWMIMHP-UHFFFAOYSA-N
XLogP3.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide (CID 13035540) is N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide is O=C(Nc1cc(-c2ccc(Cl)cc2)on1)C(F)(F)F.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is NXEMCWUPWMIMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2/c12-7-3-1-6(2-4-7)8-5-9(17-19-8)16-10(18)11(13,14)15/h1-5H,(H,16,17,18).
What are the key properties of N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide?
N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 290.63 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 13035540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).