N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine

C12H14IN3O — CID 62164274

IUPACN-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(-c2ccccc2I)o1
InChIInChI=1S/C12H14IN3O/c1-3-14-8(2)11-15-16-12(17-11)9-6-4-5-7-10(9)13/h4-8,14H,3H2,1-2H3
InChIKeyQXMZKLTYSWNXSD-UHFFFAOYSA-N
MW343.17 g/mol
LogP3.01
Rot. Bonds4

About N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine

N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62164274) has the molecular formula C12H14IN3O and a molecular weight of 343.17 g/mol. Its IUPAC name is N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62164274
Molecular FormulaC12H14IN3O
Molecular Weight343.17 g/mol
Exact Mass343.02
IUPAC NameN-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(-c2ccccc2I)o1
InChIInChI=1S/C12H14IN3O/c1-3-14-8(2)11-15-16-12(17-11)9-6-4-5-7-10(9)13/h4-8,14H,3H2,1-2H3
InChIKeyQXMZKLTYSWNXSD-UHFFFAOYSA-N
XLogP3.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 53.01
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

N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62858439
N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181348
1-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62162522
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163927
1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163232
N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62874406
5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 136710833
2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol
CID 82830527
1-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62164275
N-[1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 107952660
N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62164281

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62164274) is N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNC(C)c1nnc(-c2ccccc2I)o1.
What is the InChIKey of N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is QXMZKLTYSWNXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3O/c1-3-14-8(2)11-15-16-12(17-11)9-6-4-5-7-10(9)13/h4-8,14H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 343.17 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62164274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).