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

C13H16IN3O — CID 103901575

IUPAC1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCc1noc(CCNC(C)c2ccc(I)cc2)n1
InChIInChI=1S/C13H16IN3O/c1-9(11-3-5-12(14)6-4-11)15-8-7-13-16-10(2)17-18-13/h3-6,9,15H,7-8H2,1-2H3
InChIKeyYUUNFIJHCAYDIH-UHFFFAOYSA-N
MW357.20 g/mol
LogP2.88
Rot. Bonds5

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

1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (PubChem CID 103901575) has the molecular formula C13H16IN3O and a molecular weight of 357.20 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
PubChem CID103901575
Molecular FormulaC13H16IN3O
Molecular Weight357.20 g/mol
Exact Mass357.03
IUPAC Name1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCc1noc(CCNC(C)c2ccc(I)cc2)n1
InChIInChI=1S/C13H16IN3O/c1-9(11-3-5-12(14)6-4-11)15-8-7-13-16-10(2)17-18-13/h3-6,9,15H,7-8H2,1-2H3
InChIKeyYUUNFIJHCAYDIH-UHFFFAOYSA-N
XLogP2.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.88
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-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103901506
1-(4-ethoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901530
N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide
CID 97065389
1-(4-chloro-3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901634
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115889186
(2R,3S)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylbutan-2-amine
CID 97065414
1-(1-ethylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901633
1-(5-ethylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 75515317
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
CID 103901521
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine
CID 103901524
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
1-[1-(4-ethylphenyl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56822950

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (CID 103901575) is 1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is Cc1noc(CCNC(C)c2ccc(I)cc2)n1.
What is the InChIKey of 1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The InChIKey is YUUNFIJHCAYDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3O/c1-9(11-3-5-12(14)6-4-11)15-8-7-13-16-10(2)17-18-13/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine has a molecular weight of 357.20 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 103901575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).