2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine

C18H16N4O — CID 10425140

IUPAC2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(-c3nc(-c4ccccc4)no3)cc12
InChIInChI=1S/C18H16N4O/c19-9-8-14-11-20-16-7-6-13(10-15(14)16)18-21-17(22-23-18)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9,19H2
InChIKeyFDPKHZFSVDEEFR-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.39
Rot. Bonds4

About 2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine

2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine (PubChem CID 10425140) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
PubChem CID10425140
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(-c3nc(-c4ccccc4)no3)cc12
InChIInChI=1S/C18H16N4O/c19-9-8-14-11-20-16-7-6-13(10-15(14)16)18-21-17(22-23-18)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9,19H2
InChIKeyFDPKHZFSVDEEFR-UHFFFAOYSA-N
XLogP3.39
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine (CID 10425140) is 2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(-c3nc(-c4ccccc4)no3)cc12.
What is the InChIKey of 2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
The InChIKey is FDPKHZFSVDEEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-9-8-14-11-20-16-7-6-13(10-15(14)16)18-21-17(22-23-18)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9,19H2.
What are the key properties of 2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine has a molecular weight of 304.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10425140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).