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

C11H7N3O2S — CID 63022523

IUPAC3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(-c3cscn3)n2)c1
InChIInChI=1S/C11H7N3O2S/c15-8-3-1-2-7(4-8)10-13-11(16-14-10)9-5-17-6-12-9/h1-6,15H
InChIKeyOKHVKCLKBASTRU-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.57
Rot. Bonds2

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

3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 63022523) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID63022523
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(-c3cscn3)n2)c1
InChIInChI=1S/C11H7N3O2S/c15-8-3-1-2-7(4-8)10-13-11(16-14-10)9-5-17-6-12-9/h1-6,15H
InChIKeyOKHVKCLKBASTRU-UHFFFAOYSA-N
XLogP2.57
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 63024100
3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921126
3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 55152491
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309
2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813506
3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921033
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 115531546
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 63022523) is 3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol is Oc1cccc(-c2noc(-c3cscn3)n2)c1.
What is the InChIKey of 3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is OKHVKCLKBASTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-8-3-1-2-7(4-8)10-13-11(16-14-10)9-5-17-6-12-9/h1-6,15H.
What are the key properties of 3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 245.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 63022523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).