[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

C16H14N6O2 — CID 91915218

IUPAC[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(c2noc(-c3cnccn3)n2)C1
InChIInChI=1S/C16H14N6O2/c23-16(11-1-4-17-5-2-11)22-8-3-12(10-22)14-20-15(24-21-14)13-9-18-6-7-19-13/h1-2,4-7,9,12H,3,8,10H2
InChIKeyNCZJLOHVMUIFRL-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.55
Rot. Bonds3

About [3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 91915218) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is [3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID91915218
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(c2noc(-c3cnccn3)n2)C1
InChIInChI=1S/C16H14N6O2/c23-16(11-1-4-17-5-2-11)22-8-3-12(10-22)14-20-15(24-21-14)13-9-18-6-7-19-13/h1-2,4-7,9,12H,3,8,10H2
InChIKeyNCZJLOHVMUIFRL-UHFFFAOYSA-N
XLogP1.55
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 91915218) is [3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(c2noc(-c3cnccn3)n2)C1.
What is the InChIKey of [3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is NCZJLOHVMUIFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c23-16(11-1-4-17-5-2-11)22-8-3-12(10-22)14-20-15(24-21-14)13-9-18-6-7-19-13/h1-2,4-7,9,12H,3,8,10H2.
What are the key properties of [3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 322.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 91915218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).