2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole

C15H13N3O2S — CID 110656609

IUPAC2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESc1ccc(OCc2nnc(CSc3ccccn3)o2)cc1
InChIInChI=1S/C15H13N3O2S/c1-2-6-12(7-3-1)19-10-13-17-18-14(20-13)11-21-15-8-4-5-9-16-15/h1-9H,10-11H2
InChIKeyXJHQVSGITMZECF-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.34
Rot. Bonds6

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

2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 110656609) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID110656609
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESc1ccc(OCc2nnc(CSc3ccccn3)o2)cc1
InChIInChI=1S/C15H13N3O2S/c1-2-6-12(7-3-1)19-10-13-17-18-14(20-13)11-21-15-8-4-5-9-16-15/h1-9H,10-11H2
InChIKeyXJHQVSGITMZECF-UHFFFAOYSA-N
XLogP3.34
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
CID 11259075
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 110656016
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
2-(phenoxymethyl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
CID 5019266
2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656615
2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole
CID 110656633
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
CID 110653522
1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62854904
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine
CID 15954166
2-[(4-methylphenoxy)methyl]-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 47774160
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]prop-2-en-1-amine
CID 110653439

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 110656609) is 2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole is c1ccc(OCc2nnc(CSc3ccccn3)o2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is XJHQVSGITMZECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-6-12(7-3-1)19-10-13-17-18-14(20-13)11-21-15-8-4-5-9-16-15/h1-9H,10-11H2.
What are the key properties of 2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 299.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 110656609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).