5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

C12H9N3O3 — CID 136847715

IUPAC5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1cc(O)cc(-c2nc(-c3ccc[nH]3)no2)c1
InChIInChI=1S/C12H9N3O3/c16-8-4-7(5-9(17)6-8)12-14-11(15-18-12)10-2-1-3-13-10/h1-6,13,16-17H
InChIKeyOWSGOYVGJRQDOZ-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.14
Rot. Bonds2

About 5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 136847715) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID136847715
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1cc(O)cc(-c2nc(-c3ccc[nH]3)no2)c1
InChIInChI=1S/C12H9N3O3/c16-8-4-7(5-9(17)6-8)12-14-11(15-18-12)10-2-1-3-13-10/h1-6,13,16-17H
InChIKeyOWSGOYVGJRQDOZ-UHFFFAOYSA-N
XLogP2.14
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927432
5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137001716
5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137001702
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 136984590
4,5-difluoro-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 136984619
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 107706890
4-iodo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 136984308
5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706857
3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 136984377
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 136984510
5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107707047
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 136847715) is 5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is Oc1cc(O)cc(-c2nc(-c3ccc[nH]3)no2)c1.
What is the InChIKey of 5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is OWSGOYVGJRQDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-8-4-7(5-9(17)6-8)12-14-11(15-18-12)10-2-1-3-13-10/h1-6,13,16-17H.
What are the key properties of 5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 243.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 136847715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).