1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone

C16H16N4O3 — CID 16836127

IUPAC1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESO=C(Cn1c(-c2nnco2)cc2ccccc21)N1CCOCC1
InChIInChI=1S/C16H16N4O3/c21-15(19-5-7-22-8-6-19)10-20-13-4-2-1-3-12(13)9-14(20)16-18-17-11-23-16/h1-4,9,11H,5-8,10H2
InChIKeyOFFIUZQKZRDWKA-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.55
Rot. Bonds3

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

1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (PubChem CID 16836127) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
PubChem CID16836127
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESO=C(Cn1c(-c2nnco2)cc2ccccc21)N1CCOCC1
InChIInChI=1S/C16H16N4O3/c21-15(19-5-7-22-8-6-19)10-20-13-4-2-1-3-12(13)9-14(20)16-18-17-11-23-16/h1-4,9,11H,5-8,10H2
InChIKeyOFFIUZQKZRDWKA-UHFFFAOYSA-N
XLogP1.55
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (CID 16836127) is 1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is O=C(Cn1c(-c2nnco2)cc2ccccc21)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The InChIKey is OFFIUZQKZRDWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-15(19-5-7-22-8-6-19)10-20-13-4-2-1-3-12(13)9-14(20)16-18-17-11-23-16/h1-4,9,11H,5-8,10H2.
What are the key properties of 1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone has a molecular weight of 312.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is sourced from PubChem (CID 16836127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).