4-chloro-2-iodo-1,3-oxazole

C3HClINO — CID 163942624

IUPAC4-chloro-2-iodo-1,3-oxazole
SMILESClc1coc(I)n1
InChIInChI=1S/C3HClINO/c4-2-1-7-3(5)6-2/h1H
InChIKeyRSIKKGNRVZVNON-UHFFFAOYSA-N
MW229.40 g/mol
LogP1.93
Rot. Bonds

About 4-chloro-2-iodo-1,3-oxazole

4-chloro-2-iodo-1,3-oxazole (PubChem CID 163942624) has the molecular formula C3HClINO and a molecular weight of 229.40 g/mol. Its IUPAC name is 4-chloro-2-iodo-1,3-oxazole.

Molecular Properties

Compound Name4-chloro-2-iodo-1,3-oxazole
PubChem CID163942624
Molecular FormulaC3HClINO
Molecular Weight229.40 g/mol
Exact Mass228.88
IUPAC Name4-chloro-2-iodo-1,3-oxazole
SMILESClc1coc(I)n1
InChIInChI=1S/C3HClINO/c4-2-1-7-3(5)6-2/h1H
InChIKeyRSIKKGNRVZVNON-UHFFFAOYSA-N
XLogP1.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 51.93
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-chloro-2-iodo-1,3-oxazole?
The IUPAC name of 4-chloro-2-iodo-1,3-oxazole (CID 163942624) is 4-chloro-2-iodo-1,3-oxazole.
What is the SMILES notation for 4-chloro-2-iodo-1,3-oxazole?
The canonical SMILES for 4-chloro-2-iodo-1,3-oxazole is Clc1coc(I)n1.
What is the InChIKey of 4-chloro-2-iodo-1,3-oxazole?
The InChIKey is RSIKKGNRVZVNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClINO/c4-2-1-7-3(5)6-2/h1H.
What are the key properties of 4-chloro-2-iodo-1,3-oxazole?
4-chloro-2-iodo-1,3-oxazole has a molecular weight of 229.40 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-iodo-1,3-oxazole is sourced from PubChem (CID 163942624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).