[4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine

C22H35N3O — CID 67188414

IUPAC[4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine
SMILESCCCCCCCCCCCc1noc(CCc2ccc(CN)cc2)n1
InChIInChI=1S/C22H35N3O/c1-2-3-4-5-6-7-8-9-10-11-21-24-22(26-25-21)17-16-19-12-14-20(18-23)15-13-19/h12-15H,2-11,16-18,23H2,1H3
InChIKeyFUCKKELZXSKUBT-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.39
Rot. Bonds14

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

[4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine (PubChem CID 67188414) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is [4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine
PubChem CID67188414
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name[4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine
SMILESCCCCCCCCCCCc1noc(CCc2ccc(CN)cc2)n1
InChIInChI=1S/C22H35N3O/c1-2-3-4-5-6-7-8-9-10-11-21-24-22(26-25-21)17-16-19-12-14-20(18-23)15-13-19/h12-15H,2-11,16-18,23H2,1H3
InChIKeyFUCKKELZXSKUBT-UHFFFAOYSA-N
XLogP5.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]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

3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 62504146
3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 115340356
2-[4-[2-(3-octyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 173155729
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871
2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 107273781
3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767874
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 65427563
3-undecyl-1,2,4-oxadiazol-5-amine
CID 10900725
[4-[2-(4-hexylphenyl)ethynyl]phenyl]methanamine
CID 150614659
[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine
CID 102625963

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine?
The IUPAC name of [4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine (CID 67188414) is [4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine.
What is the SMILES notation for [4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine?
The canonical SMILES for [4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine is CCCCCCCCCCCc1noc(CCc2ccc(CN)cc2)n1.
What is the InChIKey of [4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine?
The InChIKey is FUCKKELZXSKUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-2-3-4-5-6-7-8-9-10-11-21-24-22(26-25-21)17-16-19-12-14-20(18-23)15-13-19/h12-15H,2-11,16-18,23H2,1H3.
What are the key properties of [4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine?
[4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine has a molecular weight of 357.54 g/mol, XLogP of 5.39, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine is sourced from PubChem (CID 67188414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).