2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole

C17H14N2OS — CID 3305182

IUPAC2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole
SMILESC(=Cc1nnc(SCc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C17H14N2OS/c1-3-7-14(8-4-1)11-12-16-18-19-17(20-16)21-13-15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyJCNZPHHGVHTHOC-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.53
Rot. Bonds5

About 2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole

2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole (PubChem CID 3305182) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole
PubChem CID3305182
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole
SMILESC(=Cc1nnc(SCc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C17H14N2OS/c1-3-7-14(8-4-1)11-12-16-18-19-17(20-16)21-13-15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyJCNZPHHGVHTHOC-UHFFFAOYSA-N
XLogP4.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 4265893
2-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3480460
2-(4-fluorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 141479195
2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole
CID 8708192
2-benzylsulfanyl-5-propan-2-yl-1,3,4-oxadiazole
CID 28564111
2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
CID 53265036
(1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine
CID 42587067
2-benzylsulfanyl-5-(4-iodophenyl)-1,3,4-oxadiazole
CID 19060735
2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
CID 54121484
2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 53495022
2-benzylsulfanyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 56970576
2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole
CID 154525170

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole (CID 3305182) is 2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole is C(=Cc1nnc(SCc2ccccc2)o1)c1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The InChIKey is JCNZPHHGVHTHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-3-7-14(8-4-1)11-12-16-18-19-17(20-16)21-13-15-9-5-2-6-10-15/h1-12H,13H2.
What are the key properties of 2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole?
2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole has a molecular weight of 294.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 3305182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).