2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc

C13H8NO2Zn- — CID 152729544

IUPAC2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc
SMILESOc1ccccc1-c1nc2[c-]cccc2o1.[Zn]
InChIInChI=1S/C13H8NO2.Zn/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h1-5,7-8,15H;/q-1;
InChIKeyNQMAOXNMQHUFSA-UHFFFAOYSA-N
MW275.60 g/mol
LogP3.00
Rot. Bonds1

About 2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc

2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc (PubChem CID 152729544) has the molecular formula C13H8NO2Zn- and a molecular weight of 275.60 g/mol. Its IUPAC name is 2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc.

Molecular Properties

Compound Name2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc
PubChem CID152729544
Molecular FormulaC13H8NO2Zn-
Molecular Weight275.60 g/mol
Exact Mass273.99
IUPAC Name2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc
SMILESOc1ccccc1-c1nc2[c-]cccc2o1.[Zn]
InChIInChI=1S/C13H8NO2.Zn/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h1-5,7-8,15H;/q-1;
InChIKeyNQMAOXNMQHUFSA-UHFFFAOYSA-N
XLogP3.00
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.60
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803
tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);zinc
CID 160581752
2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
CID 135685723
2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol
CID 137169500
azane;2-(1,3-benzoxazol-2-yl)phenol;phenol;toluene
CID 160629799
2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol
CID 135975699
2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 135957253
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
bis(2-benzo[e][1,3]benzoxazol-2-ylphenol);palladium
CID 139246627

Frequently Asked Questions

What is the IUPAC name of 2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc?
The IUPAC name of 2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc (CID 152729544) is 2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc.
What is the SMILES notation for 2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc?
The canonical SMILES for 2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc is Oc1ccccc1-c1nc2[c-]cccc2o1.[Zn].
What is the InChIKey of 2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc?
The InChIKey is NQMAOXNMQHUFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8NO2.Zn/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h1-5,7-8,15H;/q-1;.
What are the key properties of 2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc?
2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc has a molecular weight of 275.60 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc is sourced from PubChem (CID 152729544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).