[4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine

C19H20FN3O3 — CID 120892371

IUPAC[4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESCOCCOCc1cc(-c2nc(-c3ccc(CN)cc3)no2)ccc1F
InChIInChI=1S/C19H20FN3O3/c1-24-8-9-25-12-16-10-15(6-7-17(16)20)19-22-18(23-26-19)14-4-2-13(11-21)3-5-14/h2-7,10H,8-9,11-12,21H2,1H3
InChIKeyLPSGXYCYAXHNTD-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.16
Rot. Bonds8

About [4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine

[4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine (PubChem CID 120892371) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is [4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
PubChem CID120892371
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name[4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESCOCCOCc1cc(-c2nc(-c3ccc(CN)cc3)no2)ccc1F
InChIInChI=1S/C19H20FN3O3/c1-24-8-9-25-12-16-10-15(6-7-17(16)20)19-22-18(23-26-19)14-4-2-13(11-21)3-5-14/h2-7,10H,8-9,11-12,21H2,1H3
InChIKeyLPSGXYCYAXHNTD-UHFFFAOYSA-N
XLogP3.16
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856441
3-[3-(2-methoxyethoxymethyl)phenyl]-5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 59495636
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
2-fluoro-4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 102926835
5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 91572495
2-[[4-[5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanamine
CID 137371328
2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926840
2-fluoro-4-[5-[4-[2-(methoxymethyl)phenyl]-3-methylphenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 25255478
ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 144545178
2-[[4-[5-[4-(3-fluoro-2-methylphenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]acetic acid
CID 58066344
[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine
CID 60919309
2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol
CID 58066373

Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The IUPAC name of [4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine (CID 120892371) is [4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine is COCCOCc1cc(-c2nc(-c3ccc(CN)cc3)no2)ccc1F.
What is the InChIKey of [4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The InChIKey is LPSGXYCYAXHNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-24-8-9-25-12-16-10-15(6-7-17(16)20)19-22-18(23-26-19)14-4-2-13(11-21)3-5-14/h2-7,10H,8-9,11-12,21H2,1H3.
What are the key properties of [4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
[4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine has a molecular weight of 357.39 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 120892371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).