N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

C22H17N3O2S — CID 1156646

IUPACN-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnc(SCc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-20(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)21-24-25-22(27-21)28-15-16-9-3-1-4-10-16/h1-14H,15H2,(H,23,26)
InChIKeySZDLTPNTPQQOML-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.28
Rot. Bonds6

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

N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 1156646) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID1156646
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC NameN-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnc(SCc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-20(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)21-24-25-22(27-21)28-15-16-9-3-1-4-10-16/h1-14H,15H2,(H,23,26)
InChIKeySZDLTPNTPQQOML-UHFFFAOYSA-N
XLogP5.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 1156646) is N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is O=C(Nc1ccccc1-c1nnc(SCc2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is SZDLTPNTPQQOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-20(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)21-24-25-22(27-21)28-15-16-9-3-1-4-10-16/h1-14H,15H2,(H,23,26).
What are the key properties of N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 1156646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).