1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

C23H21N5O3 — CID 68690062

IUPAC1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2ccc3cccnc3n2)n1
InChIInChI=1S/C23H21N5O3/c29-20(15-30-17-8-2-1-3-9-17)28-14-5-4-10-19(28)22-26-23(31-27-22)18-12-11-16-7-6-13-24-21(16)25-18/h1-3,6-9,11-13,19H,4-5,10,14-15H2/t19-/m1/s1
InChIKeyHVXDVWCUEKYMNN-LJQANCHMSA-N
MW415.45 g/mol
LogP3.81
Rot. Bonds5

About 1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 68690062) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID68690062
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2ccc3cccnc3n2)n1
InChIInChI=1S/C23H21N5O3/c29-20(15-30-17-8-2-1-3-9-17)28-14-5-4-10-19(28)22-26-23(31-27-22)18-12-11-16-7-6-13-24-21(16)25-18/h1-3,6-9,11-13,19H,4-5,10,14-15H2/t19-/m1/s1
InChIKeyHVXDVWCUEKYMNN-LJQANCHMSA-N
XLogP3.81
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (CID 68690062) is 1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2ccc3cccnc3n2)n1.
What is the InChIKey of 1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is HVXDVWCUEKYMNN-LJQANCHMSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-20(15-30-17-8-2-1-3-9-17)28-14-5-4-10-19(28)22-26-23(31-27-22)18-12-11-16-7-6-13-24-21(16)25-18/h1-3,6-9,11-13,19H,4-5,10,14-15H2/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 415.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 68690062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).