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

C11H10INO2 — CID 57434521

IUPAC4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2nc(CI)co2)c1
InChIInChI=1S/C11H10INO2/c1-14-10-4-2-3-8(5-10)11-13-9(6-12)7-15-11/h2-5,7H,6H2,1H3
InChIKeyDOSVJMCCPCFNCO-UHFFFAOYSA-N
MW315.11 g/mol
LogP3.29
Rot. Bonds3

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

4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole (PubChem CID 57434521) has the molecular formula C11H10INO2 and a molecular weight of 315.11 g/mol. Its IUPAC name is 4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole
PubChem CID57434521
Molecular FormulaC11H10INO2
Molecular Weight315.11 g/mol
Exact Mass314.98
IUPAC Name4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2nc(CI)co2)c1
InChIInChI=1S/C11H10INO2/c1-14-10-4-2-3-8(5-10)11-13-9(6-12)7-15-11/h2-5,7H,6H2,1H3
InChIKeyDOSVJMCCPCFNCO-UHFFFAOYSA-N
XLogP3.29
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-2-(3-methoxyphenyl)-1,3-oxazole
CID 22352547
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288587
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde
CID 53407351
4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile
CID 166339062
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 56665294
4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole;3-[(1R,3S)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxy-2-(2-methylpropoxy)propanoic acid
CID 68880366
cyclohexane;ethane;[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methanol;methyl 2-(hydroxymethyl)-6-methylbenzoate
CID 142936232
benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46201740
1-(3-methoxyphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111809385
N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine
CID 56665279
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole (CID 57434521) is 4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole is COc1cccc(-c2nc(CI)co2)c1.
What is the InChIKey of 4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole?
The InChIKey is DOSVJMCCPCFNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO2/c1-14-10-4-2-3-8(5-10)11-13-9(6-12)7-15-11/h2-5,7H,6H2,1H3.
What are the key properties of 4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole?
4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole has a molecular weight of 315.11 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 57434521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).