N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine

C13H15IN2O — CID 65183054

IUPACN-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(-c2ccccc2I)o1
InChIInChI=1S/C13H15IN2O/c1-2-15-8-7-13-16-9-12(17-13)10-5-3-4-6-11(10)14/h3-6,9,15H,2,7-8H2,1H3
InChIKeyWGIFNZFXCYFZSS-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.10
Rot. Bonds5

About N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine

N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65183054) has the molecular formula C13H15IN2O and a molecular weight of 342.18 g/mol. Its IUPAC name is N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65183054
Molecular FormulaC13H15IN2O
Molecular Weight342.18 g/mol
Exact Mass342.02
IUPAC NameN-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(-c2ccccc2I)o1
InChIInChI=1S/C13H15IN2O/c1-2-15-8-7-13-16-9-12(17-13)10-5-3-4-6-11(10)14/h3-6,9,15H,2,7-8H2,1H3
InChIKeyWGIFNZFXCYFZSS-UHFFFAOYSA-N
XLogP3.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182800
3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186809
2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 81263080
[5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine
CID 65178572
N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183219
3-[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187014
2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182949
2-[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183095
N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181348
2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994739
N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183399
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine (CID 65183054) is N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine is CCNCCc1ncc(-c2ccccc2I)o1.
What is the InChIKey of N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is WGIFNZFXCYFZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O/c1-2-15-8-7-13-16-9-12(17-13)10-5-3-4-6-11(10)14/h3-6,9,15H,2,7-8H2,1H3.
What are the key properties of N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 342.18 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65183054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).