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

C20H23N5O3 — CID 68687152

IUPAC1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n(C)n1
InChIInChI=1S/C20H23N5O3/c1-14-12-17(24(2)22-14)19-21-20(28-23-19)16-10-6-7-11-25(16)18(26)13-27-15-8-4-3-5-9-15/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3/t16-/m1/s1
InChIKeyPCBDINFYFWDEFZ-MRXNPFEDSA-N
MW381.44 g/mol
LogP2.91
Rot. Bonds5

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

1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 68687152) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID68687152
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n(C)n1
InChIInChI=1S/C20H23N5O3/c1-14-12-17(24(2)22-14)19-21-20(28-23-19)16-10-6-7-11-25(16)18(26)13-27-15-8-4-3-5-9-15/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3/t16-/m1/s1
InChIKeyPCBDINFYFWDEFZ-MRXNPFEDSA-N
XLogP2.91
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone (CID 68687152) is 1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone is Cc1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n(C)n1.
What is the InChIKey of 1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is PCBDINFYFWDEFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-14-12-17(24(2)22-14)19-21-20(28-23-19)16-10-6-7-11-25(16)18(26)13-27-15-8-4-3-5-9-15/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 381.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 68687152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).