3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide

C18H21N5O3 — CID 29111282

IUPAC3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C18H21N5O3/c24-17(20-5-1-7-23-8-10-25-11-9-23)18-21-16(22-26-18)14-3-2-13-4-6-19-15(13)12-14/h2-4,6,12,19H,1,5,7-11H2,(H,20,24)
InChIKeyIFBWQARRSYZGQT-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.67
Rot. Bonds6

About 3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide

3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 29111282) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID29111282
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C18H21N5O3/c24-17(20-5-1-7-23-8-10-25-11-9-23)18-21-16(22-26-18)14-3-2-13-4-6-19-15(13)12-14/h2-4,6,12,19H,1,5,7-11H2,(H,20,24)
InChIKeyIFBWQARRSYZGQT-UHFFFAOYSA-N
XLogP1.67
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide (CID 29111282) is 3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCCCN1CCOCC1)c1nc(-c2ccc3cc[nH]c3c2)no1.
What is the InChIKey of 3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is IFBWQARRSYZGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-17(20-5-1-7-23-8-10-25-11-9-23)18-21-16(22-26-18)14-3-2-13-4-6-19-15(13)12-14/h2-4,6,12,19H,1,5,7-11H2,(H,20,24).
What are the key properties of 3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 29111282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).