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

C19H19N3O2S — CID 992164

IUPAC3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCSc2nnc(Cc3ccccc3)o2)c1
InChIInChI=1S/C19H19N3O2S/c1-14-6-5-9-16(12-14)20-17(23)10-11-25-19-22-21-18(24-19)13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyLBIAEZWOKRAQLJ-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.09
Rot. Bonds7

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

3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide (PubChem CID 992164) 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-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
PubChem CID992164
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCSc2nnc(Cc3ccccc3)o2)c1
InChIInChI=1S/C19H19N3O2S/c1-14-6-5-9-16(12-14)20-17(23)10-11-25-19-22-21-18(24-19)13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyLBIAEZWOKRAQLJ-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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide (CID 992164) is 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCSc2nnc(Cc3ccccc3)o2)c1.
What is the InChIKey of 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide?
The InChIKey is LBIAEZWOKRAQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-6-5-9-16(12-14)20-17(23)10-11-25-19-22-21-18(24-19)13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,23).
What are the key properties of 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide?
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-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-(3-methylphenyl)propanamide is sourced from PubChem (CID 992164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).