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

C18H20N4O4 — CID 139000747

IUPAC2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
SMILESCOc1ccc2[nH]cc(CC(=O)N3CCOCC3c3noc(C)n3)c2c1
InChIInChI=1S/C18H20N4O4/c1-11-20-18(21-26-11)16-10-25-6-5-22(16)17(23)7-12-9-19-15-4-3-13(24-2)8-14(12)15/h3-4,8-9,16,19H,5-7,10H2,1-2H3
InChIKeyRUYMUTHDBOLPJT-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.01
Rot. Bonds4

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

2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 139000747) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
PubChem CID139000747
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
SMILESCOc1ccc2[nH]cc(CC(=O)N3CCOCC3c3noc(C)n3)c2c1
InChIInChI=1S/C18H20N4O4/c1-11-20-18(21-26-11)16-10-25-6-5-22(16)17(23)7-12-9-19-15-4-3-13(24-2)8-14(12)15/h3-4,8-9,16,19H,5-7,10H2,1-2H3
InChIKeyRUYMUTHDBOLPJT-UHFFFAOYSA-N
XLogP2.01
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone (CID 139000747) is 2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone is COc1ccc2[nH]cc(CC(=O)N3CCOCC3c3noc(C)n3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is RUYMUTHDBOLPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11-20-18(21-26-11)16-10-25-6-5-22(16)17(23)7-12-9-19-15-4-3-13(24-2)8-14(12)15/h3-4,8-9,16,19H,5-7,10H2,1-2H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 356.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 139000747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).