[3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol

C10H9FINO2 — CID 91060512

IUPAC[3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1C=C(c2ccc(I)c(F)c2)NO1
InChIInChI=1S/C10H9FINO2/c11-8-3-6(1-2-9(8)12)10-4-7(5-14)15-13-10/h1-4,7,13-14H,5H2
InChIKeyWXOMVKBNZUAGCG-UHFFFAOYSA-N
MW321.09 g/mol
LogP1.67
Rot. Bonds2

About [3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol

[3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 91060512) has the molecular formula C10H9FINO2 and a molecular weight of 321.09 g/mol. Its IUPAC name is [3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID91060512
Molecular FormulaC10H9FINO2
Molecular Weight321.09 g/mol
Exact Mass320.97
IUPAC Name[3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1C=C(c2ccc(I)c(F)c2)NO1
InChIInChI=1S/C10H9FINO2/c11-8-3-6(1-2-9(8)12)10-4-7(5-14)15-13-10/h1-4,7,13-14H,5H2
InChIKeyWXOMVKBNZUAGCG-UHFFFAOYSA-N
XLogP1.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.09
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
CID 56635512
3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57054153
[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
CID 57113488
3-(3-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57260376
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91127610
[3-(3,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91204558
[3-(4-Bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91216467
[3-(3-Fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl methanesulfonate
CID 91242729
1,1,1,3,3,3-Hexafluoro-2-[3-(4-methylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-2-ol
CID 91346383
3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole
CID 91587883

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol (CID 91060512) is [3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol is OCC1C=C(c2ccc(I)c(F)c2)NO1.
What is the InChIKey of [3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is WXOMVKBNZUAGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FINO2/c11-8-3-6(1-2-9(8)12)10-4-7(5-14)15-13-10/h1-4,7,13-14H,5H2.
What are the key properties of [3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 321.09 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 91060512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).