3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol

C13H11N3O2S — CID 63846104

IUPAC3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1csc(Cc2noc(-c3cccc(O)c3)n2)n1
InChIInChI=1S/C13H11N3O2S/c1-8-7-19-12(14-8)6-11-15-13(18-16-11)9-3-2-4-10(17)5-9/h2-5,7,17H,6H2,1H3
InChIKeyAOIYAJHSIBVPJG-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.80
Rot. Bonds3

About 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol

3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 63846104) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID63846104
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1csc(Cc2noc(-c3cccc(O)c3)n2)n1
InChIInChI=1S/C13H11N3O2S/c1-8-7-19-12(14-8)6-11-15-13(18-16-11)9-3-2-4-10(17)5-9/h2-5,7,17H,6H2,1H3
InChIKeyAOIYAJHSIBVPJG-UHFFFAOYSA-N
XLogP2.80
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol (CID 63846104) is 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol is Cc1csc(Cc2noc(-c3cccc(O)c3)n2)n1.
What is the InChIKey of 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is AOIYAJHSIBVPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-8-7-19-12(14-8)6-11-15-13(18-16-11)9-3-2-4-10(17)5-9/h2-5,7,17H,6H2,1H3.
What are the key properties of 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 273.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 63846104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).