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

C13H11N3O2 — CID 137001702

IUPAC5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2nc(-c3ccc[nH]3)no2)c(O)c1
InChIInChI=1S/C13H11N3O2/c1-8-4-5-9(11(17)7-8)13-15-12(16-18-13)10-3-2-6-14-10/h2-7,14,17H,1H3
InChIKeyOQNYSKDQXMJTKY-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.75
Rot. Bonds2

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

5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137001702) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137001702
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2nc(-c3ccc[nH]3)no2)c(O)c1
InChIInChI=1S/C13H11N3O2/c1-8-4-5-9(11(17)7-8)13-15-12(16-18-13)10-3-2-6-14-10/h2-7,14,17H,1H3
InChIKeyOQNYSKDQXMJTKY-UHFFFAOYSA-N
XLogP2.75
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137001716
2-methyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927432
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136847715
5-methoxy-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 136984514
2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
CID 136712503
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
4-iodo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 136984308
5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 136990328
2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
CID 136715466
N-methyl-2-[2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 136984550
3-(4-bromo-2-tert-butylphenyl)-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 141286114

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 137001702) is 5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ccc(-c2nc(-c3ccc[nH]3)no2)c(O)c1.
What is the InChIKey of 5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is OQNYSKDQXMJTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-4-5-9(11(17)7-8)13-15-12(16-18-13)10-3-2-6-14-10/h2-7,14,17H,1H3.
What are the key properties of 5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 241.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137001702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).