5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole

C23H14N2O3 — CID 142755043

IUPAC5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole
SMILESO=[N+]([O-])c1ccccc1-c1cc2oc(-c3ccccc3)nc2c2ccccc12
InChIInChI=1S/C23H14N2O3/c26-25(27)20-13-7-6-11-17(20)19-14-21-22(18-12-5-4-10-16(18)19)24-23(28-21)15-8-2-1-3-9-15/h1-14H
InChIKeyUICUAQCDEMSUSD-UHFFFAOYSA-N
MW366.38 g/mol
LogP6.22
Rot. Bonds3

About 5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole

5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole (PubChem CID 142755043) has the molecular formula C23H14N2O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole.

Molecular Properties

Compound Name5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole
PubChem CID142755043
Molecular FormulaC23H14N2O3
Molecular Weight366.38 g/mol
Exact Mass366.10
IUPAC Name5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole
SMILESO=[N+]([O-])c1ccccc1-c1cc2oc(-c3ccccc3)nc2c2ccccc12
InChIInChI=1S/C23H14N2O3/c26-25(27)20-13-7-6-11-17(20)19-14-21-22(18-12-5-4-10-16(18)19)24-23(28-21)15-8-2-1-3-9-15/h1-14H
InChIKeyUICUAQCDEMSUSD-UHFFFAOYSA-N
XLogP6.22
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole?
The IUPAC name of 5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole (CID 142755043) is 5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole.
What is the SMILES notation for 5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole?
The canonical SMILES for 5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole is O=[N+]([O-])c1ccccc1-c1cc2oc(-c3ccccc3)nc2c2ccccc12.
What is the InChIKey of 5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole?
The InChIKey is UICUAQCDEMSUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O3/c26-25(27)20-13-7-6-11-17(20)19-14-21-22(18-12-5-4-10-16(18)19)24-23(28-21)15-8-2-1-3-9-15/h1-14H.
What are the key properties of 5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole?
5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole has a molecular weight of 366.38 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenyl)-2-phenylbenzo[e][1,3]benzoxazole is sourced from PubChem (CID 142755043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).