3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide

C17H19N5O3 — CID 29112408

IUPAC3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nc(-c2ccc3[nH]ccc3c2)no1
InChIInChI=1S/C17H19N5O3/c23-16(19-5-6-22-7-9-24-10-8-22)17-20-15(21-25-17)13-1-2-14-12(11-13)3-4-18-14/h1-4,11,18H,5-10H2,(H,19,23)
InChIKeyWKAXQDZZFJRFPH-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.28
Rot. Bonds5

About 3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide

3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 29112408) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID29112408
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nc(-c2ccc3[nH]ccc3c2)no1
InChIInChI=1S/C17H19N5O3/c23-16(19-5-6-22-7-9-24-10-8-22)17-20-15(21-25-17)13-1-2-14-12(11-13)3-4-18-14/h1-4,11,18H,5-10H2,(H,19,23)
InChIKeyWKAXQDZZFJRFPH-UHFFFAOYSA-N
XLogP1.28
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide (CID 29112408) is 3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCCN1CCOCC1)c1nc(-c2ccc3[nH]ccc3c2)no1.
What is the InChIKey of 3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is WKAXQDZZFJRFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-16(19-5-6-22-7-9-24-10-8-22)17-20-15(21-25-17)13-1-2-14-12(11-13)3-4-18-14/h1-4,11,18H,5-10H2,(H,19,23).
What are the key properties of 3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 29112408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).