5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine

C11H12FIN4O — CID 106962829

IUPAC5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2ccc(F)cc2I)o1
InChIInChI=1S/C11H12FIN4O/c1-2-14-6-10-16-17-11(18-10)15-9-4-3-7(12)5-8(9)13/h3-5,14H,2,6H2,1H3,(H,15,17)
InChIKeyPOVZQSLNFHQLTL-UHFFFAOYSA-N
MW362.15 g/mol
LogP2.67
Rot. Bonds5

About 5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine

5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962829) has the molecular formula C11H12FIN4O and a molecular weight of 362.15 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106962829
Molecular FormulaC11H12FIN4O
Molecular Weight362.15 g/mol
Exact Mass362.00
IUPAC Name5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2ccc(F)cc2I)o1
InChIInChI=1S/C11H12FIN4O/c1-2-14-6-10-16-17-11(18-10)15-9-4-3-7(12)5-8(9)13/h3-5,14H,2,6H2,1H3,(H,15,17)
InChIKeyPOVZQSLNFHQLTL-UHFFFAOYSA-N
XLogP2.67
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106962825
5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 106962819
N-(2-bromo-4-fluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968419
N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968069
N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107581548
5-(ethylaminomethyl)-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970455
N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966611
5-(chloromethyl)-N-(4-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956485
N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967012
N-(5-chloro-2-fluorophenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968954
N-(2-fluoro-5-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968490
N-[[5-(2-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137552

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine (CID 106962829) is 5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(Nc2ccc(F)cc2I)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is POVZQSLNFHQLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FIN4O/c1-2-14-6-10-16-17-11(18-10)15-9-4-3-7(12)5-8(9)13/h3-5,14H,2,6H2,1H3,(H,15,17).
What are the key properties of 5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine?
5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 362.15 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).