N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

C10H9IN2O3 — CID 10871279

IUPACN-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)C1COC(c2ccc(I)cc2)=N1
InChIInChI=1S/C10H9IN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-4,8,15H,5H2,(H,13,14)
InChIKeyCSOAULBIGIYEDT-UHFFFAOYSA-N
MW332.10 g/mol
LogP0.94
Rot. Bonds2

About N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 10871279) has the molecular formula C10H9IN2O3 and a molecular weight of 332.10 g/mol. Its IUPAC name is N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID10871279
Molecular FormulaC10H9IN2O3
Molecular Weight332.10 g/mol
Exact Mass331.97
IUPAC NameN-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)C1COC(c2ccc(I)cc2)=N1
InChIInChI=1S/C10H9IN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-4,8,15H,5H2,(H,13,14)
InChIKeyCSOAULBIGIYEDT-UHFFFAOYSA-N
XLogP0.94
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 10871279) is N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is O=C(NO)C1COC(c2ccc(I)cc2)=N1.
What is the InChIKey of N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is CSOAULBIGIYEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-4,8,15H,5H2,(H,13,14).
What are the key properties of N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 332.10 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-iodophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10871279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).