N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide

C17H15N3O2S — CID 4061474

IUPACN-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H15N3O2S/c21-15(11-12-23-14-9-5-2-6-10-14)18-17-20-19-16(22-17)13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20,21)
InChIKeyATCFZAITYXPEPP-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.86
Rot. Bonds6

About N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide

N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide (PubChem CID 4061474) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide
PubChem CID4061474
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H15N3O2S/c21-15(11-12-23-14-9-5-2-6-10-14)18-17-20-19-16(22-17)13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20,21)
InChIKeyATCFZAITYXPEPP-UHFFFAOYSA-N
XLogP3.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide (CID 4061474) is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide?
The InChIKey is ATCFZAITYXPEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-15(11-12-23-14-9-5-2-6-10-14)18-17-20-19-16(22-17)13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20,21).
What are the key properties of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide?
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide has a molecular weight of 325.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 4061474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).