2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc

C9H8N2O2Zn — CID 135979761

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
SMILESCc1noc(-c2ccccc2O)n1.[Zn]
InChIInChI=1S/C9H8N2O2.Zn/c1-6-10-9(13-11-6)7-4-2-3-5-8(7)12;/h2-5,12H,1H3;
InChIKeyLNGXJYSWVWTDGS-UHFFFAOYSA-N
MW241.56 g/mol
LogP1.75
Rot. Bonds1

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc

2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc (PubChem CID 135979761) has the molecular formula C9H8N2O2Zn and a molecular weight of 241.56 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
PubChem CID135979761
Molecular FormulaC9H8N2O2Zn
Molecular Weight241.56 g/mol
Exact Mass239.99
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
SMILESCc1noc(-c2ccccc2O)n1.[Zn]
InChIInChI=1S/C9H8N2O2.Zn/c1-6-10-9(13-11-6)7-4-2-3-5-8(7)12;/h2-5,12H,1H3;
InChIKeyLNGXJYSWVWTDGS-UHFFFAOYSA-N
XLogP1.75
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.56
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136898430
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400
4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136885967
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 68946909
1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 137002833
2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 164998452
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843
2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 870621
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate
CID 155633061
1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine
CID 168601956

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc (CID 135979761) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc is Cc1noc(-c2ccccc2O)n1.[Zn].
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc?
The InChIKey is LNGXJYSWVWTDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.Zn/c1-6-10-9(13-11-6)7-4-2-3-5-8(7)12;/h2-5,12H,1H3;.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc?
2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc has a molecular weight of 241.56 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc is sourced from PubChem (CID 135979761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).