N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide

C19H19N3O2S — CID 50826366

IUPACN-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O2S/c1-2-6-17(23)20-15-9-11-16(12-10-15)25-13-18-21-22-19(24-18)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,20,23)
InChIKeyVJZVHNXHADROES-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.77
Rot. Bonds7

About N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide

N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide (PubChem CID 50826366) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide
PubChem CID50826366
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O2S/c1-2-6-17(23)20-15-9-11-16(12-10-15)25-13-18-21-22-19(24-18)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,20,23)
InChIKeyVJZVHNXHADROES-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide?
The IUPAC name of N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide (CID 50826366) is N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide?
The canonical SMILES for N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide is CCCC(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide?
The InChIKey is VJZVHNXHADROES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-6-17(23)20-15-9-11-16(12-10-15)25-13-18-21-22-19(24-18)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,20,23).
What are the key properties of N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide?
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide has a molecular weight of 353.45 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]butanamide is sourced from PubChem (CID 50826366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).