1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

C20H21N5O3 — CID 68689578

IUPAC1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESNc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n1
InChIInChI=1S/C20H21N5O3/c21-17-11-6-9-15(22-17)20-23-19(24-28-20)16-10-4-5-12-25(16)18(26)13-27-14-7-2-1-3-8-14/h1-3,6-9,11,16H,4-5,10,12-13H2,(H2,21,22)/t16-/m1/s1
InChIKeyPXYCKQLKOIHKCS-MRXNPFEDSA-N
MW379.42 g/mol
LogP2.85
Rot. Bonds5

About 1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 68689578) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID68689578
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESNc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n1
InChIInChI=1S/C20H21N5O3/c21-17-11-6-9-15(22-17)20-23-19(24-28-20)16-10-4-5-12-25(16)18(26)13-27-14-7-2-1-3-8-14/h1-3,6-9,11,16H,4-5,10,12-13H2,(H2,21,22)/t16-/m1/s1
InChIKeyPXYCKQLKOIHKCS-MRXNPFEDSA-N
XLogP2.85
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (CID 68689578) is 1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is Nc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n1.
What is the InChIKey of 1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is PXYCKQLKOIHKCS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N5O3/c21-17-11-6-9-15(22-17)20-23-19(24-28-20)16-10-4-5-12-25(16)18(26)13-27-14-7-2-1-3-8-14/h1-3,6-9,11,16H,4-5,10,12-13H2,(H2,21,22)/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 379.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-(6-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 68689578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).