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

C17H20N4O3 — CID 99753607

IUPAC[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC[C@H]1c1nc(C2CCOCC2)no1
InChIInChI=1S/C17H20N4O3/c22-17(13-4-1-2-8-18-13)21-9-3-5-14(21)16-19-15(20-24-16)12-6-10-23-11-7-12/h1-2,4,8,12,14H,3,5-7,9-11H2/t14-/m0/s1
InChIKeyGNAYLABBKWPPDJ-AWEZNQCLSA-N
MW328.37 g/mol
LogP2.34
Rot. Bonds3

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

[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 99753607) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is [(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID99753607
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC[C@H]1c1nc(C2CCOCC2)no1
InChIInChI=1S/C17H20N4O3/c22-17(13-4-1-2-8-18-13)21-9-3-5-14(21)16-19-15(20-24-16)12-6-10-23-11-7-12/h1-2,4,8,12,14H,3,5-7,9-11H2/t14-/m0/s1
InChIKeyGNAYLABBKWPPDJ-AWEZNQCLSA-N
XLogP2.34
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 99753607) is [(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC[C@H]1c1nc(C2CCOCC2)no1.
What is the InChIKey of [(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is GNAYLABBKWPPDJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-17(13-4-1-2-8-18-13)21-9-3-5-14(21)16-19-15(20-24-16)12-6-10-23-11-7-12/h1-2,4,8,12,14H,3,5-7,9-11H2/t14-/m0/s1.
What are the key properties of [(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 328.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 99753607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).