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

C22H17N3O3 — CID 4900194

IUPAC2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C22H17N3O3/c26-20(15-27-19-12-5-2-6-13-19)23-18-11-7-10-17(14-18)22-24-21(25-28-22)16-8-3-1-4-9-16/h1-14H,15H2,(H,23,26)
InChIKeyVBHUFOGCJPUEPT-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.42
Rot. Bonds6

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

2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (PubChem CID 4900194) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
PubChem CID4900194
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C22H17N3O3/c26-20(15-27-19-12-5-2-6-13-19)23-18-11-7-10-17(14-18)22-24-21(25-28-22)16-8-3-1-4-9-16/h1-14H,15H2,(H,23,26)
InChIKeyVBHUFOGCJPUEPT-UHFFFAOYSA-N
XLogP4.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (CID 4900194) is 2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is O=C(COc1ccccc1)Nc1cccc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The InChIKey is VBHUFOGCJPUEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-20(15-27-19-12-5-2-6-13-19)23-18-11-7-10-17(14-18)22-24-21(25-28-22)16-8-3-1-4-9-16/h1-14H,15H2,(H,23,26).
What are the key properties of 2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 4900194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).