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

C16H10IN3O4 — CID 4526242

IUPAC4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol
SMILESO=[N+]([O-])c1ccc(-c2nc(/C=N/c3ccccc3I)c(O)o2)cc1
InChIInChI=1S/C16H10IN3O4/c17-12-3-1-2-4-13(12)18-9-14-16(21)24-15(19-14)10-5-7-11(8-6-10)20(22)23/h1-9,21H/b18-9+
InChIKeyYBMULHMJMXXWEA-GIJQJNRQSA-N
MW435.18 g/mol
LogP4.31
Rot. Bonds4

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

4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol (PubChem CID 4526242) has the molecular formula C16H10IN3O4 and a molecular weight of 435.18 g/mol. Its IUPAC name is 4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol
PubChem CID4526242
Molecular FormulaC16H10IN3O4
Molecular Weight435.18 g/mol
Exact Mass434.97
IUPAC Name4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol
SMILESO=[N+]([O-])c1ccc(-c2nc(/C=N/c3ccccc3I)c(O)o2)cc1
InChIInChI=1S/C16H10IN3O4/c17-12-3-1-2-4-13(12)18-9-14-16(21)24-15(19-14)10-5-7-11(8-6-10)20(22)23/h1-9,21H/b18-9+
InChIKeyYBMULHMJMXXWEA-GIJQJNRQSA-N
XLogP4.31
TPSA101.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.18
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-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

Related Compounds

4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol
CID 5006778
1-[4-[[5-hydroxy-2-(4-nitrophenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]ethanone
CID 4109891
4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 4247751
4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol
CID 5201918
2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
CID 4022557
4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 5016002
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(4-nitrophenyl)methanimine
CID 155545055
5-bromo-2-[[2-(4-bromophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid
CID 4306298
2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol
CID 137235106
2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol
CID 3426164
4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 135420862

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol (CID 4526242) is 4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol is O=[N+]([O-])c1ccc(-c2nc(/C=N/c3ccccc3I)c(O)o2)cc1.
What is the InChIKey of 4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol?
The InChIKey is YBMULHMJMXXWEA-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H10IN3O4/c17-12-3-1-2-4-13(12)18-9-14-16(21)24-15(19-14)10-5-7-11(8-6-10)20(22)23/h1-9,21H/b18-9+.
What are the key properties of 4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol?
4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol has a molecular weight of 435.18 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 4526242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).