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

C4H4INO — CID 70853098

IUPAC5-iodo-4-methyl-1,3-oxazole
SMILESCc1ncoc1I
InChIInChI=1S/C4H4INO/c1-3-4(5)7-2-6-3/h2H,1H3
InChIKeyNMGCBKLUUVNYIV-UHFFFAOYSA-N
MW208.99 g/mol
LogP1.59
Rot. Bonds

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

5-iodo-4-methyl-1,3-oxazole (PubChem CID 70853098) has the molecular formula C4H4INO and a molecular weight of 208.99 g/mol. Its IUPAC name is 5-iodo-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-iodo-4-methyl-1,3-oxazole
PubChem CID70853098
Molecular FormulaC4H4INO
Molecular Weight208.99 g/mol
Exact Mass208.93
IUPAC Name5-iodo-4-methyl-1,3-oxazole
SMILESCc1ncoc1I
InChIInChI=1S/C4H4INO/c1-3-4(5)7-2-6-3/h2H,1H3
InChIKeyNMGCBKLUUVNYIV-UHFFFAOYSA-N
XLogP1.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.99
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methyl-1,3-oxazole?
The IUPAC name of 5-iodo-4-methyl-1,3-oxazole (CID 70853098) is 5-iodo-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-iodo-4-methyl-1,3-oxazole?
The canonical SMILES for 5-iodo-4-methyl-1,3-oxazole is Cc1ncoc1I.
What is the InChIKey of 5-iodo-4-methyl-1,3-oxazole?
The InChIKey is NMGCBKLUUVNYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4INO/c1-3-4(5)7-2-6-3/h2H,1H3.
What are the key properties of 5-iodo-4-methyl-1,3-oxazole?
5-iodo-4-methyl-1,3-oxazole has a molecular weight of 208.99 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-1,3-oxazole is sourced from PubChem (CID 70853098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).