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

C19H22N4O2 — CID 75475009

IUPAC2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
SMILESCc1nc(C2CCCCCN2C(=O)Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C19H22N4O2/c1-13-21-19(22-25-13)17-9-3-2-6-10-23(17)18(24)11-14-12-20-16-8-5-4-7-15(14)16/h4-5,7-8,12,17,20H,2-3,6,9-11H2,1H3
InChIKeyLVGVZUVJVSGAOE-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.55
Rot. Bonds3

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

2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone (PubChem CID 75475009) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
PubChem CID75475009
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
SMILESCc1nc(C2CCCCCN2C(=O)Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C19H22N4O2/c1-13-21-19(22-25-13)17-9-3-2-6-10-23(17)18(24)11-14-12-20-16-8-5-4-7-15(14)16/h4-5,7-8,12,17,20H,2-3,6,9-11H2,1H3
InChIKeyLVGVZUVJVSGAOE-UHFFFAOYSA-N
XLogP3.55
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779559
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 97017412
2-(2-fluorophenoxy)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 97345444
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 97345421
2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124946578
1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 92616786
2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 139000747
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-methylphenyl)azepane-1-carboxamide
CID 75473868
2-(2-fluorophenyl)-1-[(2R)-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]ethanone
CID 97345541
3-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 50980068
2-(2-fluorophenyl)-1-[(2S)-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]ethanone
CID 97345540
1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124977676

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone (CID 75475009) is 2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone is Cc1nc(C2CCCCCN2C(=O)Cc2c[nH]c3ccccc23)no1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone?
The InChIKey is LVGVZUVJVSGAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-21-19(22-25-13)17-9-3-2-6-10-23(17)18(24)11-14-12-20-16-8-5-4-7-15(14)16/h4-5,7-8,12,17,20H,2-3,6,9-11H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone is sourced from PubChem (CID 75475009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).