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

C13H17FN4O2 — CID 106967239

IUPACN-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(Nc2ccc(C)cc2F)o1
InChIInChI=1S/C13H17FN4O2/c1-9-3-4-11(10(14)7-9)16-13-18-17-12(20-13)8-15-5-6-19-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyAPJHNWQUCSSZTK-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.00
Rot. Bonds7

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

N-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106967239) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106967239
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC NameN-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(Nc2ccc(C)cc2F)o1
InChIInChI=1S/C13H17FN4O2/c1-9-3-4-11(10(14)7-9)16-13-18-17-12(20-13)8-15-5-6-19-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyAPJHNWQUCSSZTK-UHFFFAOYSA-N
XLogP2.00
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106967239) is N-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(Nc2ccc(C)cc2F)o1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is APJHNWQUCSSZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c1-9-3-4-11(10(14)7-9)16-13-18-17-12(20-13)8-15-5-6-19-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 280.30 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).