N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine

C12H14FIN4O2 — CID 106962825

IUPACN-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(Nc2ccc(F)cc2I)o1
InChIInChI=1S/C12H14FIN4O2/c1-19-5-4-15-7-11-17-18-12(20-11)16-10-3-2-8(13)6-9(10)14/h2-3,6,15H,4-5,7H2,1H3,(H,16,18)
InChIKeyUBFBKGRMPLZXEL-UHFFFAOYSA-N
MW392.17 g/mol
LogP2.29
Rot. Bonds7

About N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine

N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106962825) has the molecular formula C12H14FIN4O2 and a molecular weight of 392.17 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106962825
Molecular FormulaC12H14FIN4O2
Molecular Weight392.17 g/mol
Exact Mass392.01
IUPAC NameN-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(Nc2ccc(F)cc2I)o1
InChIInChI=1S/C12H14FIN4O2/c1-19-5-4-15-7-11-17-18-12(20-11)16-10-3-2-8(13)6-9(10)14/h2-3,6,15H,4-5,7H2,1H3,(H,16,18)
InChIKeyUBFBKGRMPLZXEL-UHFFFAOYSA-N
XLogP2.29
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.17
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 106962829
N-(5-chloro-2-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968952
5-[(2-methoxyethylamino)methyl]-N-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106962501
N-[(2,5-difluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961530
N-(3-chloro-2-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968508
N-(2,6-difluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968469
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-bromo-4,6-difluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968551
N-(4-ethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968230
N-(3,4-dimethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967269
N-[1-(3-fluorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970761

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106962825) is N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(Nc2ccc(F)cc2I)o1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UBFBKGRMPLZXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN4O2/c1-19-5-4-15-7-11-17-18-12(20-11)16-10-3-2-8(13)6-9(10)14/h2-3,6,15H,4-5,7H2,1H3,(H,16,18).
What are the key properties of N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 392.17 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).