5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one

C17H13N5O5S — CID 3775545

IUPAC5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1Cc1nc(CS(=O)(=O)c2ccccn2)no1
InChIInChI=1S/C17H13N5O5S/c23-17-22(20-16(26-17)12-6-2-1-3-7-12)10-14-19-13(21-27-14)11-28(24,25)15-8-4-5-9-18-15/h1-9H,10-11H2
InChIKeyVPWGOYJMDWVATO-UHFFFAOYSA-N
MW399.39 g/mol
LogP1.30
Rot. Bonds6

About 5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one

5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one (PubChem CID 3775545) has the molecular formula C17H13N5O5S and a molecular weight of 399.39 g/mol. Its IUPAC name is 5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one
PubChem CID3775545
Molecular FormulaC17H13N5O5S
Molecular Weight399.39 g/mol
Exact Mass399.06
IUPAC Name5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1Cc1nc(CS(=O)(=O)c2ccccn2)no1
InChIInChI=1S/C17H13N5O5S/c23-17-22(20-16(26-17)12-6-2-1-3-7-12)10-14-19-13(21-27-14)11-28(24,25)15-8-4-5-9-18-15/h1-9H,10-11H2
InChIKeyVPWGOYJMDWVATO-UHFFFAOYSA-N
XLogP1.30
TPSA133.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one (CID 3775545) is 5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccccc2)nn1Cc1nc(CS(=O)(=O)c2ccccn2)no1.
What is the InChIKey of 5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is VPWGOYJMDWVATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O5S/c23-17-22(20-16(26-17)12-6-2-1-3-7-12)10-14-19-13(21-27-14)11-28(24,25)15-8-4-5-9-18-15/h1-9H,10-11H2.
What are the key properties of 5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one?
5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 399.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 3775545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).