2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole

C18H15ClN2O3S — CID 46180486

IUPAC2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Cc1nnc(/C=C/c2ccccc2)o1
InChIInChI=1S/C18H15ClN2O3S/c19-16-9-6-15(7-10-16)12-25(22,23)13-18-21-20-17(24-18)11-8-14-4-2-1-3-5-14/h1-11H,12-13H2/b11-8+
InChIKeyXEEXBDYNXGKRIB-DHZHZOJOSA-N
MW374.85 g/mol
LogP4.01
Rot. Bonds6

About 2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole

2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole (PubChem CID 46180486) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
PubChem CID46180486
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Cc1nnc(/C=C/c2ccccc2)o1
InChIInChI=1S/C18H15ClN2O3S/c19-16-9-6-15(7-10-16)12-25(22,23)13-18-21-20-17(24-18)11-8-14-4-2-1-3-5-14/h1-11H,12-13H2/b11-8+
InChIKeyXEEXBDYNXGKRIB-DHZHZOJOSA-N
XLogP4.01
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole (CID 46180486) is 2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole is O=S(=O)(Cc1ccc(Cl)cc1)Cc1nnc(/C=C/c2ccccc2)o1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
The InChIKey is XEEXBDYNXGKRIB-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c19-16-9-6-15(7-10-16)12-25(22,23)13-18-21-20-17(24-18)11-8-14-4-2-1-3-5-14/h1-11H,12-13H2/b11-8+.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole has a molecular weight of 374.85 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 46180486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).