[4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

C15H13N3O2S — CID 29254740

IUPAC[4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2noc(CSc3ccccn3)n2)cc1
InChIInChI=1S/C15H13N3O2S/c19-9-11-4-6-12(7-5-11)15-17-13(20-18-15)10-21-14-3-1-2-8-16-14/h1-8,19H,9-10H2
InChIKeyNIXOXVWLKBHQER-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.92
Rot. Bonds5

About [4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

[4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 29254740) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is [4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID29254740
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name[4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2noc(CSc3ccccn3)n2)cc1
InChIInChI=1S/C15H13N3O2S/c19-9-11-4-6-12(7-5-11)15-17-13(20-18-15)10-21-14-3-1-2-8-16-14/h1-8,19H,9-10H2
InChIKeyNIXOXVWLKBHQER-UHFFFAOYSA-N
XLogP2.92
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of [4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 29254740) is [4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for [4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is OCc1ccc(-c2noc(CSc3ccccn3)n2)cc1.
What is the InChIKey of [4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is NIXOXVWLKBHQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-9-11-4-6-12(7-5-11)15-17-13(20-18-15)10-21-14-3-1-2-8-16-14/h1-8,19H,9-10H2.
What are the key properties of [4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
[4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 299.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 29254740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).