2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol

C25H18N2O3 — CID 140728497

IUPAC2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol
SMILESOc1ccc(N2c3ccccc3Oc3ccccc32)cc1C1Nc2ccccc2O1
InChIInChI=1S/C25H18N2O3/c28-21-14-13-16(15-17(21)25-26-18-7-1-4-10-22(18)30-25)27-19-8-2-5-11-23(19)29-24-12-6-3-9-20(24)27/h1-15,25-26,28H
InChIKeyBDICJYYDLRDSPE-UHFFFAOYSA-N
MW394.43 g/mol
LogP6.47
Rot. Bonds2

About 2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol

2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol (PubChem CID 140728497) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol.

Molecular Properties

Compound Name2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol
PubChem CID140728497
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC Name2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol
SMILESOc1ccc(N2c3ccccc3Oc3ccccc32)cc1C1Nc2ccccc2O1
InChIInChI=1S/C25H18N2O3/c28-21-14-13-16(15-17(21)25-26-18-7-1-4-10-22(18)30-25)27-19-8-2-5-11-23(19)29-24-12-6-3-9-20(24)27/h1-15,25-26,28H
InChIKeyBDICJYYDLRDSPE-UHFFFAOYSA-N
XLogP6.47
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol 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

10-(4-fluorophenyl)phenoxazine
CID 141389969
ethane;10-phenylphenoxazine
CID 123756019
2-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
CID 66584986
2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene
CID 170666880
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide
CID 144851825
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
3,3',7,7'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771935
2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771876
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-(3,5-diisocyanophenyl)phenoxazine
CID 159346835

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol?
The IUPAC name of 2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol (CID 140728497) is 2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol.
What is the SMILES notation for 2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol?
The canonical SMILES for 2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol is Oc1ccc(N2c3ccccc3Oc3ccccc32)cc1C1Nc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol?
The InChIKey is BDICJYYDLRDSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c28-21-14-13-16(15-17(21)25-26-18-7-1-4-10-22(18)30-25)27-19-8-2-5-11-23(19)29-24-12-6-3-9-20(24)27/h1-15,25-26,28H.
What are the key properties of 2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol?
2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol has a molecular weight of 394.43 g/mol, XLogP of 6.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,3-benzoxazol-2-yl)-4-phenoxazin-10-ylphenol is sourced from PubChem (CID 140728497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).