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

C18H21N5O2 — CID 42571005

IUPAC3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCN1CCCCC1)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C18H21N5O2/c24-17(20-8-11-23-9-2-1-3-10-23)18-21-16(22-25-18)14-5-4-13-6-7-19-15(13)12-14/h4-7,12,19H,1-3,8-11H2,(H,20,24)
InChIKeyOLIZYHDJPCRLFS-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.43
Rot. Bonds5

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

3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42571005) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42571005
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCN1CCCCC1)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C18H21N5O2/c24-17(20-8-11-23-9-2-1-3-10-23)18-21-16(22-25-18)14-5-4-13-6-7-19-15(13)12-14/h4-7,12,19H,1-3,8-11H2,(H,20,24)
InChIKeyOLIZYHDJPCRLFS-UHFFFAOYSA-N
XLogP2.43
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide (CID 42571005) is 3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCCN1CCCCC1)c1nc(-c2ccc3cc[nH]c3c2)no1.
What is the InChIKey of 3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is OLIZYHDJPCRLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(20-8-11-23-9-2-1-3-10-23)18-21-16(22-25-18)14-5-4-13-6-7-19-15(13)12-14/h4-7,12,19H,1-3,8-11H2,(H,20,24).
What are the key properties of 3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42571005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).