bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium

C26H18N2O5V — CID 162253412

IUPACbis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
SMILESO=[V].Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/2C13H9NO2.O.V/c2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;/h2*1-8,15H;;
InChIKeyGDULKSNDRNYRBC-UHFFFAOYSA-N
MW489.38 g/mol
LogP6.28
Rot. Bonds2

About bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium

bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium (PubChem CID 162253412) has the molecular formula C26H18N2O5V and a molecular weight of 489.38 g/mol. Its IUPAC name is bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium.

Molecular Properties

Compound Namebis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
PubChem CID162253412
Molecular FormulaC26H18N2O5V
Molecular Weight489.38 g/mol
Exact Mass489.07
IUPAC Namebis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
SMILESO=[V].Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/2C13H9NO2.O.V/c2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;/h2*1-8,15H;;
InChIKeyGDULKSNDRNYRBC-UHFFFAOYSA-N
XLogP6.28
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.38
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium 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
azane;2-(1,3-benzoxazol-2-yl)phenol;phenol;toluene
CID 160629799
tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);zinc
CID 160581752
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
CID 135685723
2,6-bis(1,3-benzoxazol-2-yl)-4-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797678
4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile
CID 165357068
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide
CID 136600254
4-(1,3-benzoxazol-2-yl)-2,5-dihydroxybenzoyl chloride
CID 136740250
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803

Frequently Asked Questions

What is the IUPAC name of bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium?
The IUPAC name of bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium (CID 162253412) is bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium.
What is the SMILES notation for bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium?
The canonical SMILES for bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium is O=[V].Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.
What is the InChIKey of bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium?
The InChIKey is GDULKSNDRNYRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9NO2.O.V/c2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;/h2*1-8,15H;;.
What are the key properties of bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium?
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium has a molecular weight of 489.38 g/mol, XLogP of 6.28, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium is sourced from PubChem (CID 162253412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).