1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

C19H21N5O3 — CID 68689655

IUPAC1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n[nH]1
InChIInChI=1S/C19H21N5O3/c1-13-11-15(22-21-13)19-20-18(23-27-19)16-9-5-6-10-24(16)17(25)12-26-14-7-3-2-4-8-14/h2-4,7-8,11,16H,5-6,9-10,12H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyZMZDYRYLCXDKSP-MRXNPFEDSA-N
MW367.41 g/mol
LogP2.90
Rot. Bonds5

About 1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 68689655) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID68689655
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n[nH]1
InChIInChI=1S/C19H21N5O3/c1-13-11-15(22-21-13)19-20-18(23-27-19)16-9-5-6-10-24(16)17(25)12-26-14-7-3-2-4-8-14/h2-4,7-8,11,16H,5-6,9-10,12H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyZMZDYRYLCXDKSP-MRXNPFEDSA-N
XLogP2.90
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (CID 68689655) is 1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is Cc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n[nH]1.
What is the InChIKey of 1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is ZMZDYRYLCXDKSP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-11-15(22-21-13)19-20-18(23-27-19)16-9-5-6-10-24(16)17(25)12-26-14-7-3-2-4-8-14/h2-4,7-8,11,16H,5-6,9-10,12H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 367.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 68689655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).