2-iodo-4-(4-methoxyphenyl)-1,3-oxazole

C10H8INO2 — CID 45139286

IUPAC2-iodo-4-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2coc(I)n2)cc1
InChIInChI=1S/C10H8INO2/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3
InChIKeyRLZNAITUWRHQMB-UHFFFAOYSA-N
MW301.08 g/mol
LogP2.95
Rot. Bonds2

About 2-iodo-4-(4-methoxyphenyl)-1,3-oxazole

2-iodo-4-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 45139286) has the molecular formula C10H8INO2 and a molecular weight of 301.08 g/mol. Its IUPAC name is 2-iodo-4-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-iodo-4-(4-methoxyphenyl)-1,3-oxazole
PubChem CID45139286
Molecular FormulaC10H8INO2
Molecular Weight301.08 g/mol
Exact Mass300.96
IUPAC Name2-iodo-4-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2coc(I)n2)cc1
InChIInChI=1S/C10H8INO2/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3
InChIKeyRLZNAITUWRHQMB-UHFFFAOYSA-N
XLogP2.95
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 52.95
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

2-methoxy-4-(4-methoxyphenyl)-1,3-oxazole
CID 154293116
4-(4-chlorophenyl)-2-iodo-1,3-oxazole
CID 102974677
2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole
CID 105487768
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3705848
2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone
CID 22560806
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine
CID 95450329
2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 59726235
4-(4-ethoxyphenyl)-1,3-oxazol-2-amine
CID 62065908
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-iodo-4-(4-methoxyphenyl)-1,3-oxazole (CID 45139286) is 2-iodo-4-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-iodo-4-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-iodo-4-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2coc(I)n2)cc1.
What is the InChIKey of 2-iodo-4-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is RLZNAITUWRHQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO2/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3.
What are the key properties of 2-iodo-4-(4-methoxyphenyl)-1,3-oxazole?
2-iodo-4-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 301.08 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 45139286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).