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

C17H13IN2O2 — CID 5016002

IUPAC4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
SMILESCc1ccc(-c2nc(/C=N/c3ccc(I)cc3)c(O)o2)cc1
InChIInChI=1S/C17H13IN2O2/c1-11-2-4-12(5-3-11)16-20-15(17(21)22-16)10-19-14-8-6-13(18)7-9-14/h2-10,21H,1H3/b19-10+
InChIKeyHASSSQOOIJLDBE-VXLYETTFSA-N
MW404.21 g/mol
LogP4.71
Rot. Bonds3

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

4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol (PubChem CID 5016002) has the molecular formula C17H13IN2O2 and a molecular weight of 404.21 g/mol. Its IUPAC name is 4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
PubChem CID5016002
Molecular FormulaC17H13IN2O2
Molecular Weight404.21 g/mol
Exact Mass404.00
IUPAC Name4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
SMILESCc1ccc(-c2nc(/C=N/c3ccc(I)cc3)c(O)o2)cc1
InChIInChI=1S/C17H13IN2O2/c1-11-2-4-12(5-3-11)16-20-15(17(21)22-16)10-19-14-8-6-13(18)7-9-14/h2-10,21H,1H3/b19-10+
InChIKeyHASSSQOOIJLDBE-VXLYETTFSA-N
XLogP4.71
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.21
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol (CID 5016002) is 4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol is Cc1ccc(-c2nc(/C=N/c3ccc(I)cc3)c(O)o2)cc1.
What is the InChIKey of 4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol?
The InChIKey is HASSSQOOIJLDBE-VXLYETTFSA-N. The full InChI is InChI=1S/C17H13IN2O2/c1-11-2-4-12(5-3-11)16-20-15(17(21)22-16)10-19-14-8-6-13(18)7-9-14/h2-10,21H,1H3/b19-10+.
What are the key properties of 4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol?
4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol has a molecular weight of 404.21 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 5016002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).