3-iodo-4-thiophen-2-yl-1,2-oxazole

C7H4INOS — CID 166786121

IUPAC3-iodo-4-thiophen-2-yl-1,2-oxazole
SMILESIc1nocc1-c1cccs1
InChIInChI=1S/C7H4INOS/c8-7-5(4-10-9-7)6-2-1-3-11-6/h1-4H
InChIKeyHEMLFBSOIVWGCW-UHFFFAOYSA-N
MW277.09 g/mol
LogP3.01
Rot. Bonds1

About 3-iodo-4-thiophen-2-yl-1,2-oxazole

3-iodo-4-thiophen-2-yl-1,2-oxazole (PubChem CID 166786121) has the molecular formula C7H4INOS and a molecular weight of 277.09 g/mol. Its IUPAC name is 3-iodo-4-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-iodo-4-thiophen-2-yl-1,2-oxazole
PubChem CID166786121
Molecular FormulaC7H4INOS
Molecular Weight277.09 g/mol
Exact Mass276.91
IUPAC Name3-iodo-4-thiophen-2-yl-1,2-oxazole
SMILESIc1nocc1-c1cccs1
InChIInChI=1S/C7H4INOS/c8-7-5(4-10-9-7)6-2-1-3-11-6/h1-4H
InChIKeyHEMLFBSOIVWGCW-UHFFFAOYSA-N
XLogP3.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 3-iodo-4-thiophen-2-yl-1,2-oxazole (CID 166786121) is 3-iodo-4-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 3-iodo-4-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 3-iodo-4-thiophen-2-yl-1,2-oxazole is Ic1nocc1-c1cccs1.
What is the InChIKey of 3-iodo-4-thiophen-2-yl-1,2-oxazole?
The InChIKey is HEMLFBSOIVWGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4INOS/c8-7-5(4-10-9-7)6-2-1-3-11-6/h1-4H.
What are the key properties of 3-iodo-4-thiophen-2-yl-1,2-oxazole?
3-iodo-4-thiophen-2-yl-1,2-oxazole has a molecular weight of 277.09 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 166786121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).