4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole

C16H12INO2 — CID 38879165

IUPAC4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
SMILESIc1ccccc1OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C16H12INO2/c17-14-8-4-5-9-15(14)19-10-13-11-20-16(18-13)12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyLENNFGQBPINOPF-UHFFFAOYSA-N
MW377.18 g/mol
LogP4.53
Rot. Bonds4

About 4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole

4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole (PubChem CID 38879165) has the molecular formula C16H12INO2 and a molecular weight of 377.18 g/mol. Its IUPAC name is 4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
PubChem CID38879165
Molecular FormulaC16H12INO2
Molecular Weight377.18 g/mol
Exact Mass376.99
IUPAC Name4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
SMILESIc1ccccc1OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C16H12INO2/c17-14-8-4-5-9-15(14)19-10-13-11-20-16(18-13)12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyLENNFGQBPINOPF-UHFFFAOYSA-N
XLogP4.53
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole
CID 55542490
3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63336486
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile
CID 31681304
[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
CID 106485084
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
4-[(4-nitrophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 18171386
2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
CID 18165684

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole (CID 38879165) is 4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole is Ic1ccccc1OCc1coc(-c2ccccc2)n1.
What is the InChIKey of 4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole?
The InChIKey is LENNFGQBPINOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO2/c17-14-8-4-5-9-15(14)19-10-13-11-20-16(18-13)12-6-2-1-3-7-12/h1-9,11H,10H2.
What are the key properties of 4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole?
4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole has a molecular weight of 377.18 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 38879165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).