2-iodo-4-(oxolan-3-yl)-1,3-oxazole

C7H8INO2 — CID 102974663

IUPAC2-iodo-4-(oxolan-3-yl)-1,3-oxazole
SMILESIc1nc(C2CCOC2)co1
InChIInChI=1S/C7H8INO2/c8-7-9-6(4-11-7)5-1-2-10-3-5/h4-5H,1-3H2
InChIKeyYUSUCSRXJOPSLH-UHFFFAOYSA-N
MW265.05 g/mol
LogP1.78
Rot. Bonds1

About 2-iodo-4-(oxolan-3-yl)-1,3-oxazole

2-iodo-4-(oxolan-3-yl)-1,3-oxazole (PubChem CID 102974663) has the molecular formula C7H8INO2 and a molecular weight of 265.05 g/mol. Its IUPAC name is 2-iodo-4-(oxolan-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-iodo-4-(oxolan-3-yl)-1,3-oxazole
PubChem CID102974663
Molecular FormulaC7H8INO2
Molecular Weight265.05 g/mol
Exact Mass264.96
IUPAC Name2-iodo-4-(oxolan-3-yl)-1,3-oxazole
SMILESIc1nc(C2CCOC2)co1
InChIInChI=1S/C7H8INO2/c8-7-9-6(4-11-7)5-1-2-10-3-5/h4-5H,1-3H2
InChIKeyYUSUCSRXJOPSLH-UHFFFAOYSA-N
XLogP1.78
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115025819
2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
3-(oxolan-3-yl)-1,2-oxazole
CID 114763668
[4-(oxolan-3-yl)-1,3-thiazol-2-yl]hydrazine
CID 104752360
2-[4-(oxan-4-yl)-1,3-oxazol-2-yl]ethanol
CID 115021002
N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693355
2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 62234864
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
CID 105469286
4-(oxan-3-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 115041538
ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole
CID 144669764
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride
CID 105469285
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-(oxolan-3-yl)-1,3-oxazole?
The IUPAC name of 2-iodo-4-(oxolan-3-yl)-1,3-oxazole (CID 102974663) is 2-iodo-4-(oxolan-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-iodo-4-(oxolan-3-yl)-1,3-oxazole?
The canonical SMILES for 2-iodo-4-(oxolan-3-yl)-1,3-oxazole is Ic1nc(C2CCOC2)co1.
What is the InChIKey of 2-iodo-4-(oxolan-3-yl)-1,3-oxazole?
The InChIKey is YUSUCSRXJOPSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2/c8-7-9-6(4-11-7)5-1-2-10-3-5/h4-5H,1-3H2.
What are the key properties of 2-iodo-4-(oxolan-3-yl)-1,3-oxazole?
2-iodo-4-(oxolan-3-yl)-1,3-oxazole has a molecular weight of 265.05 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-(oxolan-3-yl)-1,3-oxazole is sourced from PubChem (CID 102974663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).