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

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Related Compounds

2-(5-(3-(4-(Methylsulfonylamino)benzyl)-1,2,4-oxadiazol-5-yl)-1H-indole-3-yl)ethylamine
CID 132059
N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 9976750
4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
CID 10383965
2-[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
CID 11725312
4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzenesulfonamide
CID 11742355
5-Methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxylic acid 4-pyridylmethyl amide
CID 135887182
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 71597270
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 9927016
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 9974915
N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
CID 9980618
2-[5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 9996008
2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
CID 10043339

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).