4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole

C11H9ClINO — CID 53404213

IUPAC4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole
SMILESCc1oc(-c2cccc(I)c2)nc1CCl
InChIInChI=1S/C11H9ClINO/c1-7-10(6-12)14-11(15-7)8-3-2-4-9(13)5-8/h2-5H,6H2,1H3
InChIKeyZVAUZVDXONMWLU-UHFFFAOYSA-N
MW333.56 g/mol
LogP3.99
Rot. Bonds2

About 4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole

4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole (PubChem CID 53404213) has the molecular formula C11H9ClINO and a molecular weight of 333.56 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole
PubChem CID53404213
Molecular FormulaC11H9ClINO
Molecular Weight333.56 g/mol
Exact Mass332.94
IUPAC Name4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole
SMILESCc1oc(-c2cccc(I)c2)nc1CCl
InChIInChI=1S/C11H9ClINO/c1-7-10(6-12)14-11(15-7)8-3-2-4-9(13)5-8/h2-5H,6H2,1H3
InChIKeyZVAUZVDXONMWLU-UHFFFAOYSA-N
XLogP3.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 14479955
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline
CID 82087527
methyl 5-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-2-methylbenzoate
CID 23076346
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole
CID 53403506
[4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]phenyl] acetate
CID 69217279
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol
CID 142910946
5-methyl-4-[(3-methyl-1,2,4-triazol-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56750905
2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole
CID 749918

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole (CID 53404213) is 4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole is Cc1oc(-c2cccc(I)c2)nc1CCl.
What is the InChIKey of 4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole?
The InChIKey is ZVAUZVDXONMWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClINO/c1-7-10(6-12)14-11(15-7)8-3-2-4-9(13)5-8/h2-5H,6H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole?
4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole has a molecular weight of 333.56 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 53404213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).