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

C16H9ClF3N3O2 — CID 2797897

IUPACN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F
InChIInChI=1S/C16H9ClF3N3O2/c17-10-7-5-9(6-8-10)13-22-14(25-23-13)11-3-1-2-4-12(11)21-15(24)16(18,19)20/h1-8H,(H,21,24)
InChIKeyFPTHKOGDSRBQNZ-UHFFFAOYSA-N
MW367.71 g/mol
LogP4.56
Rot. Bonds3

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

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 2797897) has the molecular formula C16H9ClF3N3O2 and a molecular weight of 367.71 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID2797897
Molecular FormulaC16H9ClF3N3O2
Molecular Weight367.71 g/mol
Exact Mass367.03
IUPAC NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F
InChIInChI=1S/C16H9ClF3N3O2/c17-10-7-5-9(6-8-10)13-22-14(25-23-13)11-3-1-2-4-12(11)21-15(24)16(18,19)20/h1-8H,(H,21,24)
InChIKeyFPTHKOGDSRBQNZ-UHFFFAOYSA-N
XLogP4.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.71
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide (CID 2797897) is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is FPTHKOGDSRBQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3O2/c17-10-7-5-9(6-8-10)13-22-14(25-23-13)11-3-1-2-4-12(11)21-15(24)16(18,19)20/h1-8H,(H,21,24).
What are the key properties of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide?
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 367.71 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 2797897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).