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

C19H19N3O2S — CID 992163

IUPAC3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCSc2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-7-9-16(10-8-14)20-17(23)11-12-25-19-22-21-18(24-19)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyYNJDVUQWLOAXPH-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.09
Rot. Bonds7

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

3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide (PubChem CID 992163) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
PubChem CID992163
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCSc2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-7-9-16(10-8-14)20-17(23)11-12-25-19-22-21-18(24-19)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyYNJDVUQWLOAXPH-UHFFFAOYSA-N
XLogP4.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-ethylphenyl)acetamide hydrochloride
CID 6603221
2-Benzyl-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole
CID 2712501
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-quinolin-2-one
CID 712681
N-m-Tolyl-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 645555
2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone
CID 647610
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
CID 992164
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1259963
1-{[(5-Benzyl-1,3,4-oxadiazol-2-yl)thio]acetyl}indoline
CID 2155832
2-{[5-(4-chlorobenzyl)-1,3,4-oxadiazol-2-yl]thio}-N-phenylacetamide
CID 2979405
(S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,3-dimethylphenyl)acetamide hydrochloride
CID 9551759
(S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,5-dimethylphenyl)acetamide hydrochloride
CID 9551789

Frequently Asked Questions

What is the IUPAC name of 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide (CID 992163) is 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCSc2nnc(Cc3ccccc3)o2)cc1.
What is the InChIKey of 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide?
The InChIKey is YNJDVUQWLOAXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-7-9-16(10-8-14)20-17(23)11-12-25-19-22-21-18(24-19)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23).
What are the key properties of 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide?
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide has a molecular weight of 353.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 992163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).