2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide

C20H21N3O2S — CID 41228861

IUPAC2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(-c3cccc(SC(C)C)c3)o2)cc1
InChIInChI=1S/C20H21N3O2S/c1-13(2)26-17-6-4-5-16(12-17)19-22-23-20(25-19)21-18(24)11-15-9-7-14(3)8-10-15/h4-10,12-13H,11H2,1-3H3,(H,21,23,24)
InChIKeyWGKYYVLJMJPGKV-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.73
Rot. Bonds6

About 2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 41228861) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID41228861
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(-c3cccc(SC(C)C)c3)o2)cc1
InChIInChI=1S/C20H21N3O2S/c1-13(2)26-17-6-4-5-16(12-17)19-22-23-20(25-19)21-18(24)11-15-9-7-14(3)8-10-15/h4-10,12-13H,11H2,1-3H3,(H,21,23,24)
InChIKeyWGKYYVLJMJPGKV-UHFFFAOYSA-N
XLogP4.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41227799
2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 16838827
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 43977845
3,5-dimethoxy-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41228441
2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854752
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16854678
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 16854449
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 16854452
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146905
2-methyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854563
2-(4-methoxy-3-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854865

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 41228861) is 2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccc(CC(=O)Nc2nnc(-c3cccc(SC(C)C)c3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is WGKYYVLJMJPGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13(2)26-17-6-4-5-16(12-17)19-22-23-20(25-19)21-18(24)11-15-9-7-14(3)8-10-15/h4-10,12-13H,11H2,1-3H3,(H,21,23,24).
What are the key properties of 2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 41228861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).