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

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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
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
N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 10063319

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).