N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide

C19H19N3O2S — CID 16917444

IUPACN-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)Nc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C19H19N3O2S/c23-17(12-7-13-25-16-10-5-2-6-11-16)20-19-22-21-18(24-19)14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,20,22,23)
InChIKeySKQPLHAHWXRMFY-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.17
Rot. Bonds8

About N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide

N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide (PubChem CID 16917444) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide
PubChem CID16917444
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)Nc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C19H19N3O2S/c23-17(12-7-13-25-16-10-5-2-6-11-16)20-19-22-21-18(24-19)14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,20,22,23)
InChIKeySKQPLHAHWXRMFY-UHFFFAOYSA-N
XLogP4.17
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide?
The IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide (CID 16917444) is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide?
The canonical SMILES for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide is O=C(CCCSc1ccccc1)Nc1nnc(Cc2ccccc2)o1.
What is the InChIKey of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide?
The InChIKey is SKQPLHAHWXRMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-17(12-7-13-25-16-10-5-2-6-11-16)20-19-22-21-18(24-19)14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,20,22,23).
What are the key properties of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide?
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide has a molecular weight of 353.45 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide is sourced from PubChem (CID 16917444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).