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

C18H20N4O3 — CID 129327666

IUPAC2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
SMILESCc1nnc([C@@H]2CN(C(=O)Cc3c(C)[nH]c4ccccc34)CCO2)o1
InChIInChI=1S/C18H20N4O3/c1-11-14(13-5-3-4-6-15(13)19-11)9-17(23)22-7-8-24-16(10-22)18-21-20-12(2)25-18/h3-6,16,19H,7-10H2,1-2H3/t16-/m0/s1
InChIKeyVSXOBBAKAQGXRR-INIZCTEOSA-N
MW340.38 g/mol
LogP2.31
Rot. Bonds3

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

2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone (PubChem CID 129327666) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
PubChem CID129327666
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
SMILESCc1nnc([C@@H]2CN(C(=O)Cc3c(C)[nH]c4ccccc34)CCO2)o1
InChIInChI=1S/C18H20N4O3/c1-11-14(13-5-3-4-6-15(13)19-11)9-17(23)22-7-8-24-16(10-22)18-21-20-12(2)25-18/h3-6,16,19H,7-10H2,1-2H3/t16-/m0/s1
InChIKeyVSXOBBAKAQGXRR-INIZCTEOSA-N
XLogP2.31
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 129326425
4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 129001862
2-(7-methyl-1H-indol-3-yl)-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327716
2-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129325955
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326330
1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2,4,5-trifluorophenyl)ethanone
CID 129327013
(3-methyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325788
(E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one
CID 129001830
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129326457
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327260

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone (CID 129327666) is 2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone is Cc1nnc([C@@H]2CN(C(=O)Cc3c(C)[nH]c4ccccc34)CCO2)o1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The InChIKey is VSXOBBAKAQGXRR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-14(13-5-3-4-6-15(13)19-11)9-17(23)22-7-8-24-16(10-22)18-21-20-12(2)25-18/h3-6,16,19H,7-10H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone has a molecular weight of 340.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 129327666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).