5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole

C10H10INO — CID 72741218

IUPAC5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESICC1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H10INO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyFDUWJYHUOWQFIU-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.61
Rot. Bonds2

About 5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole

5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 72741218) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is 5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID72741218
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC Name5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESICC1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H10INO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyFDUWJYHUOWQFIU-UHFFFAOYSA-N
XLogP2.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.61
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-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole (CID 72741218) is 5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole is ICC1CC(c2ccccc2)=NO1.
What is the InChIKey of 5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is FDUWJYHUOWQFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 287.10 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 72741218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).