2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc

C15H12N2O2Zn — CID 158215980

IUPAC2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc
SMILESCc1ccc(-c2nnc(-c3ccccc3O)o2)cc1.[Zn]
InChIInChI=1S/C15H12N2O2.Zn/c1-10-6-8-11(9-7-10)14-16-17-15(19-14)12-4-2-3-5-13(12)18;/h2-9,18H,1H3;
InChIKeyGCQNDFSKDGHMDA-UHFFFAOYSA-N
MW317.66 g/mol
LogP3.42
Rot. Bonds2

About 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc

2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc (PubChem CID 158215980) has the molecular formula C15H12N2O2Zn and a molecular weight of 317.66 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc
PubChem CID158215980
Molecular FormulaC15H12N2O2Zn
Molecular Weight317.66 g/mol
Exact Mass316.02
IUPAC Name2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc
SMILESCc1ccc(-c2nnc(-c3ccccc3O)o2)cc1.[Zn]
InChIInChI=1S/C15H12N2O2.Zn/c1-10-6-8-11(9-7-10)14-16-17-15(19-14)12-4-2-3-5-13(12)18;/h2-9,18H,1H3;
InChIKeyGCQNDFSKDGHMDA-UHFFFAOYSA-N
XLogP3.42
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.66
LogP ≤ 53.42
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

beryllium;hydride;2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 174487083
4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 135985215
2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 860744
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
N-[2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 135445433
2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole
CID 177007625
2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 20603457
4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 155569508
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 142929751

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc?
The IUPAC name of 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc (CID 158215980) is 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc.
What is the SMILES notation for 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc?
The canonical SMILES for 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc is Cc1ccc(-c2nnc(-c3ccccc3O)o2)cc1.[Zn].
What is the InChIKey of 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc?
The InChIKey is GCQNDFSKDGHMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2.Zn/c1-10-6-8-11(9-7-10)14-16-17-15(19-14)12-4-2-3-5-13(12)18;/h2-9,18H,1H3;.
What are the key properties of 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc?
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc has a molecular weight of 317.66 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc is sourced from PubChem (CID 158215980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).