methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate

C6H6INO3 — CID 44523001

IUPACmethyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(C)c1I
InChIInChI=1S/C6H6INO3/c1-3-4(7)5(8-11-3)6(9)10-2/h1-2H3
InChIKeyDEYIKAFKPHDCCP-UHFFFAOYSA-N
MW267.02 g/mol
LogP1.37
Rot. Bonds1

About methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate

methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate (PubChem CID 44523001) has the molecular formula C6H6INO3 and a molecular weight of 267.02 g/mol. Its IUPAC name is methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate
PubChem CID44523001
Molecular FormulaC6H6INO3
Molecular Weight267.02 g/mol
Exact Mass266.94
IUPAC Namemethyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(C)c1I
InChIInChI=1S/C6H6INO3/c1-3-4(7)5(8-11-3)6(9)10-2/h1-2H3
InChIKeyDEYIKAFKPHDCCP-UHFFFAOYSA-N
XLogP1.37
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.02
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate (CID 44523001) is methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate is COC(=O)c1noc(C)c1I.
What is the InChIKey of methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate?
The InChIKey is DEYIKAFKPHDCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO3/c1-3-4(7)5(8-11-3)6(9)10-2/h1-2H3.
What are the key properties of methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate?
methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 267.02 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44523001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).