5-iodo-3-propyl-4,5-dihydro-1,2-oxazole

C6H10INO — CID 102252412

IUPAC5-iodo-3-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1=NOC(I)C1
InChIInChI=1S/C6H10INO/c1-2-3-5-4-6(7)9-8-5/h6H,2-4H2,1H3
InChIKeyNECJPPSOUDPONX-UHFFFAOYSA-N
MW239.06 g/mol
LogP2.32
Rot. Bonds2

About 5-iodo-3-propyl-4,5-dihydro-1,2-oxazole

5-iodo-3-propyl-4,5-dihydro-1,2-oxazole (PubChem CID 102252412) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is 5-iodo-3-propyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-iodo-3-propyl-4,5-dihydro-1,2-oxazole
PubChem CID102252412
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name5-iodo-3-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1=NOC(I)C1
InChIInChI=1S/C6H10INO/c1-2-3-5-4-6(7)9-8-5/h6H,2-4H2,1H3
InChIKeyNECJPPSOUDPONX-UHFFFAOYSA-N
XLogP2.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-propyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-iodo-3-propyl-4,5-dihydro-1,2-oxazole (CID 102252412) is 5-iodo-3-propyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-iodo-3-propyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-iodo-3-propyl-4,5-dihydro-1,2-oxazole is CCCC1=NOC(I)C1.
What is the InChIKey of 5-iodo-3-propyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NECJPPSOUDPONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c1-2-3-5-4-6(7)9-8-5/h6H,2-4H2,1H3.
What are the key properties of 5-iodo-3-propyl-4,5-dihydro-1,2-oxazole?
5-iodo-3-propyl-4,5-dihydro-1,2-oxazole has a molecular weight of 239.06 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-propyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102252412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).