2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine

C11H11IN2O2 — CID 19596727

IUPAC2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine
SMILESNCCOc1noc(-c2ccccc2)c1I
InChIInChI=1S/C11H11IN2O2/c12-9-10(8-4-2-1-3-5-8)16-14-11(9)15-7-6-13/h1-5H,6-7,13H2
InChIKeyQGDHFFPWWOLRLE-UHFFFAOYSA-N
MW330.12 g/mol
LogP2.28
Rot. Bonds4

About 2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine

2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine (PubChem CID 19596727) has the molecular formula C11H11IN2O2 and a molecular weight of 330.12 g/mol. Its IUPAC name is 2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine
PubChem CID19596727
Molecular FormulaC11H11IN2O2
Molecular Weight330.12 g/mol
Exact Mass329.99
IUPAC Name2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine
SMILESNCCOc1noc(-c2ccccc2)c1I
InChIInChI=1S/C11H11IN2O2/c12-9-10(8-4-2-1-3-5-8)16-14-11(9)15-7-6-13/h1-5H,6-7,13H2
InChIKeyQGDHFFPWWOLRLE-UHFFFAOYSA-N
XLogP2.28
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride
CID 174392250
2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride
CID 19596686
2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine
CID 10377607
3-chloro-4-iodo-5-phenyl-1,2-oxazole
CID 122223983
3-(2-aminoethoxy)-1,2-benzoxazol-7-ol
CID 84665269
4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 141290012
2-(6-phenylpyridazin-3-yl)oxyethanamine
CID 52903526
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 19596598
tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596513
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide
CID 18696060
3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile
CID 10420409

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine?
The IUPAC name of 2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine (CID 19596727) is 2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine?
The canonical SMILES for 2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine is NCCOc1noc(-c2ccccc2)c1I.
What is the InChIKey of 2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine?
The InChIKey is QGDHFFPWWOLRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O2/c12-9-10(8-4-2-1-3-5-8)16-14-11(9)15-7-6-13/h1-5H,6-7,13H2.
What are the key properties of 2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine?
2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine has a molecular weight of 330.12 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine is sourced from PubChem (CID 19596727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).