3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide

C11H9IN2O3 — CID 104629295

IUPAC3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccon1)c1ccc(I)c(O)c1
InChIInChI=1S/C11H9IN2O3/c12-9-2-1-7(5-10(9)15)11(16)13-6-8-3-4-17-14-8/h1-5,15H,6H2,(H,13,16)
InChIKeyRRBQOLIAGWFQSB-UHFFFAOYSA-N
MW344.11 g/mol
LogP1.91
Rot. Bonds3

About 3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide

3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide (PubChem CID 104629295) has the molecular formula C11H9IN2O3 and a molecular weight of 344.11 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
PubChem CID104629295
Molecular FormulaC11H9IN2O3
Molecular Weight344.11 g/mol
Exact Mass343.97
IUPAC Name3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccon1)c1ccc(I)c(O)c1
InChIInChI=1S/C11H9IN2O3/c12-9-2-1-7(5-10(9)15)11(16)13-6-8-3-4-17-14-8/h1-5,15H,6H2,(H,13,16)
InChIKeyRRBQOLIAGWFQSB-UHFFFAOYSA-N
XLogP1.91
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.11
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79492078
5-bromo-2-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721244
3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103842110
4-fluoro-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79487393
3-hydroxy-4-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104627817
3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104627777
N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434669
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627877
2,4-dihydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721251
3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 81170534
3-hydroxy-4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104628303
N-(1,2-oxazol-3-ylmethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103721386

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide (CID 104629295) is 3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide is O=C(NCc1ccon1)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide?
The InChIKey is RRBQOLIAGWFQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O3/c12-9-2-1-7(5-10(9)15)11(16)13-6-8-3-4-17-14-8/h1-5,15H,6H2,(H,13,16).
What are the key properties of 3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide?
3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide has a molecular weight of 344.11 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide is sourced from PubChem (CID 104629295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).