2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole

C16H14N2O4S — CID 110656615

IUPAC2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(COc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C16H14N2O4S/c19-23(20,14-9-5-2-6-10-14)12-16-18-17-15(22-16)11-21-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyAMDXGFVBWFOWBT-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.62
Rot. Bonds6

About 2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole

2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole (PubChem CID 110656615) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
PubChem CID110656615
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(COc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C16H14N2O4S/c19-23(20,14-9-5-2-6-10-14)12-16-18-17-15(22-16)11-21-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyAMDXGFVBWFOWBT-UHFFFAOYSA-N
XLogP2.62
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 42632398
N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662151
1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene
CID 90995304
2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
CID 11259075
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine
CID 15954166
2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656609
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
CID 110653522
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]prop-2-en-1-amine
CID 110653439
2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 42632514
2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656023

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole (CID 110656615) is 2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole is O=S(=O)(Cc1nnc(COc2ccccc2)o1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
The InChIKey is AMDXGFVBWFOWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c19-23(20,14-9-5-2-6-10-14)12-16-18-17-15(22-16)11-21-13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole has a molecular weight of 330.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 110656615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).