3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

C18H20N4O3 — CID 129326138

IUPAC3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1nnc([C@@H]2COCCN2C(=O)CCc2ccc3[nH]ccc3c2)o1
InChIInChI=1S/C18H20N4O3/c1-12-20-21-18(25-12)16-11-24-9-8-22(16)17(23)5-3-13-2-4-15-14(10-13)6-7-19-15/h2,4,6-7,10,16,19H,3,5,8-9,11H2,1H3/t16-/m0/s1
InChIKeyGWGDGQBZEYKIPK-INIZCTEOSA-N
MW340.38 g/mol
LogP2.39
Rot. Bonds4

About 3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 129326138) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID129326138
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1nnc([C@@H]2COCCN2C(=O)CCc2ccc3[nH]ccc3c2)o1
InChIInChI=1S/C18H20N4O3/c1-12-20-21-18(25-12)16-11-24-9-8-22(16)17(23)5-3-13-2-4-15-14(10-13)6-7-19-15/h2,4,6-7,10,16,19H,3,5,8-9,11H2,1H3/t16-/m0/s1
InChIKeyGWGDGQBZEYKIPK-INIZCTEOSA-N
XLogP2.39
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-indol-5-yl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129004636
1H-indol-6-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129474082
2-(4-fluorophenyl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128998164
3-indol-1-yl-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129472880
2-(2,6-dimethylphenoxy)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128967184
(5-ethylfuran-2-yl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327673
1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 129326628
1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 128996947
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327133
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129328005
3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one
CID 166307850

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (CID 129326138) is 3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is Cc1nnc([C@@H]2COCCN2C(=O)CCc2ccc3[nH]ccc3c2)o1.
What is the InChIKey of 3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is GWGDGQBZEYKIPK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-20-21-18(25-12)16-11-24-9-8-22(16)17(23)5-3-13-2-4-15-14(10-13)6-7-19-15/h2,4,6-7,10,16,19H,3,5,8-9,11H2,1H3/t16-/m0/s1.
What are the key properties of 3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 340.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 129326138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).