3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole

C16H15N5O2 — CID 86820469

IUPAC3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3cnccn3)no2)c(OC2CCNC2)c1
InChIInChI=1S/C16H15N5O2/c1-2-4-14(22-11-5-6-17-9-11)12(3-1)16-20-15(21-23-16)13-10-18-7-8-19-13/h1-4,7-8,10-11,17H,5-6,9H2
InChIKeyLODUGDDKCOADJP-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.93
Rot. Bonds4

About 3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole

3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole (PubChem CID 86820469) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole
PubChem CID86820469
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3cnccn3)no2)c(OC2CCNC2)c1
InChIInChI=1S/C16H15N5O2/c1-2-4-14(22-11-5-6-17-9-11)12(3-1)16-20-15(21-23-16)13-10-18-7-8-19-13/h1-4,7-8,10-11,17H,5-6,9H2
InChIKeyLODUGDDKCOADJP-UHFFFAOYSA-N
XLogP1.93
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole (CID 86820469) is 3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole is c1ccc(-c2nc(-c3cnccn3)no2)c(OC2CCNC2)c1.
What is the InChIKey of 3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is LODUGDDKCOADJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-2-4-14(22-11-5-6-17-9-11)12(3-1)16-20-15(21-23-16)13-10-18-7-8-19-13/h1-4,7-8,10-11,17H,5-6,9H2.
What are the key properties of 3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole?
3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 309.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-5-(2-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 86820469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).