2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C22H15F2N3O2 — CID 39854255

IUPAC2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C22H15F2N3O2/c23-17-9-7-14(8-10-17)11-20(28)25-19-6-2-3-15(13-19)21-26-22(29-27-21)16-4-1-5-18(24)12-16/h1-10,12-13H,11H2,(H,25,28)
InChIKeyDVCAEMCVUBLZOF-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.86
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 39854255) has the molecular formula C22H15F2N3O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID39854255
Molecular FormulaC22H15F2N3O2
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C22H15F2N3O2/c23-17-9-7-14(8-10-17)11-20(28)25-19-6-2-3-15(13-19)21-26-22(29-27-21)16-4-1-5-18(24)12-16/h1-10,12-13H,11H2,(H,25,28)
InChIKeyDVCAEMCVUBLZOF-UHFFFAOYSA-N
XLogP4.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 35521872
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 35521878
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 53041733
2-(4-methoxyphenyl)-N-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 4912727
N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybutanamide
CID 39853089
N-(3-bromophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754735
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide
CID 45153659
2-(4-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 46266992
2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71497244
N-[(4-fluorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71821682
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266948
N-(4-fluorophenyl)-2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032439

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 39854255) is 2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is DVCAEMCVUBLZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2/c23-17-9-7-14(8-10-17)11-20(28)25-19-6-2-3-15(13-19)21-26-22(29-27-21)16-4-1-5-18(24)12-16/h1-10,12-13H,11H2,(H,25,28).
What are the key properties of 2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 391.38 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 39854255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).