[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone

C16H16N4O3 — CID 42535119

IUPAC[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc(Cc2c[nH]c3ccccc23)no1)N1CCOCC1
InChIInChI=1S/C16H16N4O3/c21-16(20-5-7-22-8-6-20)15-18-14(19-23-15)9-11-10-17-13-4-2-1-3-12(11)13/h1-4,10,17H,5-9H2
InChIKeyXSPVUPBOJLTMOZ-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.61
Rot. Bonds3

About [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone

[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 42535119) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
PubChem CID42535119
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc(Cc2c[nH]c3ccccc23)no1)N1CCOCC1
InChIInChI=1S/C16H16N4O3/c21-16(20-5-7-22-8-6-20)15-18-14(19-23-15)9-11-10-17-13-4-2-1-3-12(11)13/h1-4,10,17H,5-9H2
InChIKeyXSPVUPBOJLTMOZ-UHFFFAOYSA-N
XLogP1.61
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone (CID 42535119) is [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone is O=C(c1nc(Cc2c[nH]c3ccccc23)no1)N1CCOCC1.
What is the InChIKey of [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is XSPVUPBOJLTMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-16(20-5-7-22-8-6-20)15-18-14(19-23-15)9-11-10-17-13-4-2-1-3-12(11)13/h1-4,10,17H,5-9H2.
What are the key properties of [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone?
[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 312.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42535119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).