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

C16H19N5O3 — CID 91918822

IUPAC[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C16H19N5O3/c22-16(13-9-17-4-5-18-13)21-6-1-12(10-21)15-19-14(20-24-15)11-2-7-23-8-3-11/h4-5,9,11-12H,1-3,6-8,10H2
InChIKeyDUXSVBRDCFBRJM-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.38
Rot. Bonds3

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

[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 91918822) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is [3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID91918822
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C16H19N5O3/c22-16(13-9-17-4-5-18-13)21-6-1-12(10-21)15-19-14(20-24-15)11-2-7-23-8-3-11/h4-5,9,11-12H,1-3,6-8,10H2
InChIKeyDUXSVBRDCFBRJM-UHFFFAOYSA-N
XLogP1.38
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 91918822) is [3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(c2nc(C3CCOCC3)no2)C1.
What is the InChIKey of [3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is DUXSVBRDCFBRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-16(13-9-17-4-5-18-13)21-6-1-12(10-21)15-19-14(20-24-15)11-2-7-23-8-3-11/h4-5,9,11-12H,1-3,6-8,10H2.
What are the key properties of [3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 329.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 91918822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).