5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole

C16H13N5O — CID 71859081

IUPAC5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1ccc2c(c1)ccn2CCc1nc(-c2cnccn2)no1
InChIInChI=1S/C16H13N5O/c1-2-4-14-12(3-1)5-9-21(14)10-6-15-19-16(20-22-15)13-11-17-7-8-18-13/h1-5,7-9,11H,6,10H2
InChIKeyLBQSUBFETHFXPA-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.72
Rot. Bonds4

About 5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole

5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 71859081) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID71859081
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1ccc2c(c1)ccn2CCc1nc(-c2cnccn2)no1
InChIInChI=1S/C16H13N5O/c1-2-4-14-12(3-1)5-9-21(14)10-6-15-19-16(20-22-15)13-11-17-7-8-18-13/h1-5,7-9,11H,6,10H2
InChIKeyLBQSUBFETHFXPA-UHFFFAOYSA-N
XLogP2.72
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 71859081) is 5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole is c1ccc2c(c1)ccn2CCc1nc(-c2cnccn2)no1.
What is the InChIKey of 5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is LBQSUBFETHFXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-2-4-14-12(3-1)5-9-21(14)10-6-15-19-16(20-22-15)13-11-17-7-8-18-13/h1-5,7-9,11H,6,10H2.
What are the key properties of 5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 291.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 71859081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).