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

C20H20N4O2 — CID 10043339

IUPAC2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
SMILESCOc1ccccc1Cc1noc(-c2ccc3[nH]cc(CCN)c3c2)n1
InChIInChI=1S/C20H20N4O2/c1-25-18-5-3-2-4-13(18)11-19-23-20(26-24-19)14-6-7-17-16(10-14)15(8-9-21)12-22-17/h2-7,10,12,22H,8-9,11,21H2,1H3
InChIKeyTWZLBEKNARALNH-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.32
Rot. Bonds6

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

2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine (PubChem CID 10043339) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
PubChem CID10043339
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
SMILESCOc1ccccc1Cc1noc(-c2ccc3[nH]cc(CCN)c3c2)n1
InChIInChI=1S/C20H20N4O2/c1-25-18-5-3-2-4-13(18)11-19-23-20(26-24-19)14-6-7-17-16(10-14)15(8-9-21)12-22-17/h2-7,10,12,22H,8-9,11,21H2,1H3
InChIKeyTWZLBEKNARALNH-UHFFFAOYSA-N
XLogP3.32
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
CID 24853793
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]acetamide
CID 11700059
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507987
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
2-Amino-5-[3-(2-methoxy-phenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethyl-benzamide
CID 16739128
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitrobenzamide
CID 792934
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine (CID 10043339) is 2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine is COc1ccccc1Cc1noc(-c2ccc3[nH]cc(CCN)c3c2)n1.
What is the InChIKey of 2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine?
The InChIKey is TWZLBEKNARALNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-25-18-5-3-2-4-13(18)11-19-23-20(26-24-19)14-6-7-17-16(10-14)15(8-9-21)12-22-17/h2-7,10,12,22H,8-9,11,21H2,1H3.
What are the key properties of 2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine?
2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine has a molecular weight of 348.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10043339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).