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

C22H17N3O3S — CID 4784933

IUPAC2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(COc1ccc(-c2nnco2)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H17N3O3S/c26-21(14-27-17-12-10-16(11-13-17)22-25-23-15-28-22)24-19-8-4-5-9-20(19)29-18-6-2-1-3-7-18/h1-13,15H,14H2,(H,24,26)
InChIKeyWKYXINKMUNYZPY-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.91
Rot. Bonds7

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

2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 4784933) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID4784933
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(COc1ccc(-c2nnco2)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H17N3O3S/c26-21(14-27-17-12-10-16(11-13-17)22-25-23-15-28-22)24-19-8-4-5-9-20(19)29-18-6-2-1-3-7-18/h1-13,15H,14H2,(H,24,26)
InChIKeyWKYXINKMUNYZPY-UHFFFAOYSA-N
XLogP4.91
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide (CID 4784933) is 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide is O=C(COc1ccc(-c2nnco2)cc1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is WKYXINKMUNYZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c26-21(14-27-17-12-10-16(11-13-17)22-25-23-15-28-22)24-19-8-4-5-9-20(19)29-18-6-2-1-3-7-18/h1-13,15H,14H2,(H,24,26).
What are the key properties of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide?
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 403.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 4784933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).