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

C13H14N4O — CID 10421850

IUPAC2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
SMILESCc1noc(-c2ccc3[nH]cc(CCN)c3c2)n1
InChIInChI=1S/C13H14N4O/c1-8-16-13(18-17-8)9-2-3-12-11(6-9)10(4-5-14)7-15-12/h2-3,6-7,15H,4-5,14H2,1H3
InChIKeyBHZAJXDSABBUCR-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.03
Rot. Bonds3

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

2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine (PubChem CID 10421850) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
PubChem CID10421850
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
SMILESCc1noc(-c2ccc3[nH]cc(CCN)c3c2)n1
InChIInChI=1S/C13H14N4O/c1-8-16-13(18-17-8)9-2-3-12-11(6-9)10(4-5-14)7-15-12/h2-3,6-7,15H,4-5,14H2,1H3
InChIKeyBHZAJXDSABBUCR-UHFFFAOYSA-N
XLogP2.03
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-(3-methyl-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-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine (CID 10421850) is 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine is Cc1noc(-c2ccc3[nH]cc(CCN)c3c2)n1.
What is the InChIKey of 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
The InChIKey is BHZAJXDSABBUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-16-13(18-17-8)9-2-3-12-11(6-9)10(4-5-14)7-15-12/h2-3,6-7,15H,4-5,14H2,1H3.
What are the key properties of 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine has a molecular weight of 242.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10421850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).