2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole

C18H16N2OS — CID 53265036

IUPAC2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
SMILESC(=C/c1ccccc1)\CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C18H16N2OS/c1-3-8-15(9-4-1)12-7-13-22-18-20-19-17(21-18)14-16-10-5-2-6-11-16/h1-12H,13-14H2/b12-7+
InChIKeyNQUFCWBGUSGPKS-KPKJPENVSA-N
MW308.41 g/mol
LogP4.47
Rot. Bonds6

About 2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole

2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole (PubChem CID 53265036) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
PubChem CID53265036
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
SMILESC(=C/c1ccccc1)\CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C18H16N2OS/c1-3-8-15(9-4-1)12-7-13-22-18-20-19-17(21-18)14-16-10-5-2-6-11-16/h1-12H,13-14H2/b12-7+
InChIKeyNQUFCWBGUSGPKS-KPKJPENVSA-N
XLogP4.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 3696515
ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 53265037
2-benzyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-oxadiazole
CID 47096888
2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3305182
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile
CID 4004788
2-(3-nitrophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
CID 9344875
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1008010
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
CID 854782
2-[(4-methoxyphenyl)methyl]-5-(3-phenylprop-2-ynylsulfanyl)-1,3,4-oxadiazole
CID 134065469
(E)-N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-phenylprop-2-enamide
CID 16917343
2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole
CID 8708192
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylprop-1-en-1-ol
CID 5181576

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole (CID 53265036) is 2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole is C(=C/c1ccccc1)\CSc1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole?
The InChIKey is NQUFCWBGUSGPKS-KPKJPENVSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-3-8-15(9-4-1)12-7-13-22-18-20-19-17(21-18)14-16-10-5-2-6-11-16/h1-12H,13-14H2/b12-7+.
What are the key properties of 2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole?
2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole has a molecular weight of 308.41 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 53265036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).