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

C19H19N3O2S — CID 647583

IUPACN-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1
InChIInChI=1S/C19H19N3O2S/c1-12-8-9-14(3)16(10-12)20-17(23)11-25-19-22-21-18(24-19)15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyWIXJYEPLTLZQDS-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.39
Rot. Bonds5

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

N-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 647583) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID647583
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1
InChIInChI=1S/C19H19N3O2S/c1-12-8-9-14(3)16(10-12)20-17(23)11-25-19-22-21-18(24-19)15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyWIXJYEPLTLZQDS-UHFFFAOYSA-N
XLogP4.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 647583) is N-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is WIXJYEPLTLZQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-8-9-14(3)16(10-12)20-17(23)11-25-19-22-21-18(24-19)15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 647583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).