4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol

C16H11N3O4 — CID 750010

IUPAC4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
SMILESO=[N+]([O-])c1cccc(/N=C/c2nc(-c3ccccc3)oc2O)c1
InChIInChI=1S/C16H11N3O4/c20-16-14(18-15(23-16)11-5-2-1-3-6-11)10-17-12-7-4-8-13(9-12)19(21)22/h1-10,20H/b17-10+
InChIKeyQVIXOTDIYLSPDB-LICLKQGHSA-N
MW309.28 g/mol
LogP3.71
Rot. Bonds4

About 4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol

4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol (PubChem CID 750010) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
PubChem CID750010
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
SMILESO=[N+]([O-])c1cccc(/N=C/c2nc(-c3ccccc3)oc2O)c1
InChIInChI=1S/C16H11N3O4/c20-16-14(18-15(23-16)11-5-2-1-3-6-11)10-17-12-7-4-8-13(9-12)19(21)22/h1-10,20H/b17-10+
InChIKeyQVIXOTDIYLSPDB-LICLKQGHSA-N
XLogP3.71
TPSA101.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol 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 4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The IUPAC name of 4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol (CID 750010) is 4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol is O=[N+]([O-])c1cccc(/N=C/c2nc(-c3ccccc3)oc2O)c1.
What is the InChIKey of 4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The InChIKey is QVIXOTDIYLSPDB-LICLKQGHSA-N. The full InChI is InChI=1S/C16H11N3O4/c20-16-14(18-15(23-16)11-5-2-1-3-6-11)10-17-12-7-4-8-13(9-12)19(21)22/h1-10,20H/b17-10+.
What are the key properties of 4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol has a molecular weight of 309.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitrophenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol is sourced from PubChem (CID 750010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).