[5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol

C10H8INO2 — CID 59007683

IUPAC[5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(-c2cccc(I)c2)on1
InChIInChI=1S/C10H8INO2/c11-8-3-1-2-7(4-8)10-5-9(6-13)12-14-10/h1-5,13H,6H2
InChIKeyDBBNKTYHHYMKII-UHFFFAOYSA-N
MW301.08 g/mol
LogP2.44
Rot. Bonds2

About [5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol

[5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol (PubChem CID 59007683) has the molecular formula C10H8INO2 and a molecular weight of 301.08 g/mol. Its IUPAC name is [5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol
PubChem CID59007683
Molecular FormulaC10H8INO2
Molecular Weight301.08 g/mol
Exact Mass300.96
IUPAC Name[5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(-c2cccc(I)c2)on1
InChIInChI=1S/C10H8INO2/c11-8-3-1-2-7(4-8)10-5-9(6-13)12-14-10/h1-5,13H,6H2
InChIKeyDBBNKTYHHYMKII-UHFFFAOYSA-N
XLogP2.44
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol (CID 59007683) is [5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol is OCc1cc(-c2cccc(I)c2)on1.
What is the InChIKey of [5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol?
The InChIKey is DBBNKTYHHYMKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO2/c11-8-3-1-2-7(4-8)10-5-9(6-13)12-14-10/h1-5,13H,6H2.
What are the key properties of [5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol?
[5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol has a molecular weight of 301.08 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-iodophenyl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 59007683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).