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

C19H22N4O2 — CID 53027989

IUPAC1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESCc1nnc(-c2cn(CC(=O)N3CCCCCC3)c3ccccc23)o1
InChIInChI=1S/C19H22N4O2/c1-14-20-21-19(25-14)16-12-23(17-9-5-4-8-15(16)17)13-18(24)22-10-6-2-3-7-11-22/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3
InChIKeyDTEDWCFKBQWFBX-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.40
Rot. Bonds3

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

1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (PubChem CID 53027989) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
PubChem CID53027989
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESCc1nnc(-c2cn(CC(=O)N3CCCCCC3)c3ccccc23)o1
InChIInChI=1S/C19H22N4O2/c1-14-20-21-19(25-14)16-12-23(17-9-5-4-8-15(16)17)13-18(24)22-10-6-2-3-7-11-22/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3
InChIKeyDTEDWCFKBQWFBX-UHFFFAOYSA-N
XLogP3.40
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-morpholin-4-yl-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]ethanone
CID 46385196
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-phenylacetamide
CID 42111225
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate
CID 46257811
N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53028024
2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66407285
N-ethyl-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385202
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]ethanone
CID 18563563
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]-1-piperidin-1-ylethanone
CID 18563468
2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66408650

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (CID 53027989) is 1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is Cc1nnc(-c2cn(CC(=O)N3CCCCCC3)c3ccccc23)o1.
What is the InChIKey of 1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The InChIKey is DTEDWCFKBQWFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-20-21-19(25-14)16-12-23(17-9-5-4-8-15(16)17)13-18(24)22-10-6-2-3-7-11-22/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is sourced from PubChem (CID 53027989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).