5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol

C12H8N4O3 — CID 107706890

IUPAC5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2nc(-c3ccncn3)no2)c1
InChIInChI=1S/C12H8N4O3/c17-8-3-7(4-9(18)5-8)12-15-11(16-19-12)10-1-2-13-6-14-10/h1-6,17-18H
InChIKeyGMQHBKKNRKTCFT-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.60
Rot. Bonds2

About 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol

5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol (PubChem CID 107706890) has the molecular formula C12H8N4O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
PubChem CID107706890
Molecular FormulaC12H8N4O3
Molecular Weight256.22 g/mol
Exact Mass256.06
IUPAC Name5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2nc(-c3ccncn3)no2)c1
InChIInChI=1S/C12H8N4O3/c17-8-3-7(4-9(18)5-8)12-15-11(16-19-12)10-1-2-13-6-14-10/h1-6,17-18H
InChIKeyGMQHBKKNRKTCFT-UHFFFAOYSA-N
XLogP1.60
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137012853
[4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 115528746
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698928
5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107707047
2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137012864
5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706857
(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915904
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
CID 113329157
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136770934
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136847715
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 115531546
5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 115528772

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol?
The IUPAC name of 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol (CID 107706890) is 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol?
The canonical SMILES for 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol is Oc1cc(O)cc(-c2nc(-c3ccncn3)no2)c1.
What is the InChIKey of 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol?
The InChIKey is GMQHBKKNRKTCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3/c17-8-3-7(4-9(18)5-8)12-15-11(16-19-12)10-1-2-13-6-14-10/h1-6,17-18H.
What are the key properties of 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol?
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol has a molecular weight of 256.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol is sourced from PubChem (CID 107706890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).