4-iodo-1,3-oxazole

C3H2INO — CID 67988236

IUPAC4-iodo-1,3-oxazole
SMILESIc1cocn1
InChIInChI=1S/C3H2INO/c4-3-1-6-2-5-3/h1-2H
InChIKeyAXRSHCHZHQOGSY-UHFFFAOYSA-N
MW194.96 g/mol
LogP1.28
Rot. Bonds

About 4-iodo-1,3-oxazole

4-iodo-1,3-oxazole (PubChem CID 67988236) has the molecular formula C3H2INO and a molecular weight of 194.96 g/mol. Its IUPAC name is 4-iodo-1,3-oxazole.

Molecular Properties

Compound Name4-iodo-1,3-oxazole
PubChem CID67988236
Molecular FormulaC3H2INO
Molecular Weight194.96 g/mol
Exact Mass194.92
IUPAC Name4-iodo-1,3-oxazole
SMILESIc1cocn1
InChIInChI=1S/C3H2INO/c4-3-1-6-2-5-3/h1-2H
InChIKeyAXRSHCHZHQOGSY-UHFFFAOYSA-N
XLogP1.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.96
LogP ≤ 51.28
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 4-iodo-1,3-oxazole?
The IUPAC name of 4-iodo-1,3-oxazole (CID 67988236) is 4-iodo-1,3-oxazole.
What is the SMILES notation for 4-iodo-1,3-oxazole?
The canonical SMILES for 4-iodo-1,3-oxazole is Ic1cocn1.
What is the InChIKey of 4-iodo-1,3-oxazole?
The InChIKey is AXRSHCHZHQOGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2INO/c4-3-1-6-2-5-3/h1-2H.
What are the key properties of 4-iodo-1,3-oxazole?
4-iodo-1,3-oxazole has a molecular weight of 194.96 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1,3-oxazole is sourced from PubChem (CID 67988236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).