5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole

C16H12INO2 — CID 60522936

IUPAC5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole
SMILESIc1ccccc1OCc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H12INO2/c17-14-8-4-5-9-16(14)19-11-13-10-15(18-20-13)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyMKQGGAJTFNHUDX-UHFFFAOYSA-N
MW377.18 g/mol
LogP4.53
Rot. Bonds4

About 5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole

5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole (PubChem CID 60522936) has the molecular formula C16H12INO2 and a molecular weight of 377.18 g/mol. Its IUPAC name is 5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole
PubChem CID60522936
Molecular FormulaC16H12INO2
Molecular Weight377.18 g/mol
Exact Mass376.99
IUPAC Name5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole
SMILESIc1ccccc1OCc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H12INO2/c17-14-8-4-5-9-16(14)19-11-13-10-15(18-20-13)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyMKQGGAJTFNHUDX-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'}

Analyze 5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
CID 61027686
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 134010105
5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole
CID 146097170
5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1484373
[3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol
CID 2748900
3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole
CID 71761123
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30036377
5-[(2-iodophenoxy)methyl]furan-2-carboxylic acid
CID 43479555
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852

Frequently Asked Questions

What is the IUPAC name of 5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole (CID 60522936) is 5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole is Ic1ccccc1OCc1cc(-c2ccccc2)no1.
What is the InChIKey of 5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole?
The InChIKey is MKQGGAJTFNHUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO2/c17-14-8-4-5-9-16(14)19-11-13-10-15(18-20-13)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole?
5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-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 5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 60522936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).