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

C13H15IN2O — CID 65181348

IUPACN-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNC(C)c1ncc(-c2ccccc2I)o1
InChIInChI=1S/C13H15IN2O/c1-3-15-9(2)13-16-8-12(17-13)10-6-4-5-7-11(10)14/h4-9,15H,3H2,1-2H3
InChIKeyKRWXKIUQEFTWTO-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.62
Rot. Bonds4

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

N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65181348) has the molecular formula C13H15IN2O and a molecular weight of 342.18 g/mol. Its IUPAC name is N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65181348
Molecular FormulaC13H15IN2O
Molecular Weight342.18 g/mol
Exact Mass342.02
IUPAC NameN-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNC(C)c1ncc(-c2ccccc2I)o1
InChIInChI=1S/C13H15IN2O/c1-3-15-9(2)13-16-8-12(17-13)10-6-4-5-7-11(10)14/h4-9,15H,3H2,1-2H3
InChIKeyKRWXKIUQEFTWTO-UHFFFAOYSA-N
XLogP3.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62164274
N-ethyl-1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181501
N-ethyl-1-[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 79756753
1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 114375998
N-ethyl-1-[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181338
N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183054
1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65181498
1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 106690342
N-ethyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181853
N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181747
1-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65181194
1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 82819022

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine (CID 65181348) is N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine is CCNC(C)c1ncc(-c2ccccc2I)o1.
What is the InChIKey of N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is KRWXKIUQEFTWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O/c1-3-15-9(2)13-16-8-12(17-13)10-6-4-5-7-11(10)14/h4-9,15H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 342.18 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65181348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).