iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole

C10H12INO — CID 143618128

IUPACiodobenzene;3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOCC1.Ic1ccccc1
InChIInChI=1S/C6H5I.C4H7NO/c7-6-4-2-1-3-5-6;1-4-2-3-6-5-4/h1-5H;2-3H2,1H3
InChIKeyFFYOARKDHCCUAB-UHFFFAOYSA-N
MW289.12 g/mol
LogP3.07
Rot. Bonds

About iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole

iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 143618128) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Nameiodobenzene;3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID143618128
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Nameiodobenzene;3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOCC1.Ic1ccccc1
InChIInChI=1S/C6H5I.C4H7NO/c7-6-4-2-1-3-5-6;1-4-2-3-6-5-4/h1-5H;2-3H2,1H3
InChIKeyFFYOARKDHCCUAB-UHFFFAOYSA-N
XLogP3.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene
CID 143617792
3-methyl-4,5-dihydro-1,2-oxazole
CID 12959090
iodobenzene;methane
CID 161271441
iodobenzene dichloride
CID 13166207
iodobenzene;1,3,5-trimethylbenzene;hydrobromide
CID 175079627
ethane;iodobenzene;methane;molecular hydrogen
CID 161119948
hypoiodous acid;iodobenzene;hydrate
CID 172828538
acetaldehyde;iodobenzene
CID 159105616
iodobenzene;propan-2-one
CID 159413459
3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole
CID 174685517
2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol
CID 130124537
hydron;iodobenzene;hexafluorophosphate
CID 174937039

Frequently Asked Questions

What is the IUPAC name of iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole (CID 143618128) is iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole is CC1=NOCC1.Ic1ccccc1.
What is the InChIKey of iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is FFYOARKDHCCUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I.C4H7NO/c7-6-4-2-1-3-5-6;1-4-2-3-6-5-4/h1-5H;2-3H2,1H3.
What are the key properties of iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole?
iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 289.12 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 143618128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).