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

C18H19N5O3 — CID 68690761

IUPAC2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2ccn[nH]2)n1
InChIInChI=1S/C18H19N5O3/c24-16(12-25-13-6-2-1-3-7-13)23-11-5-4-8-15(23)17-20-18(26-22-17)14-9-10-19-21-14/h1-3,6-7,9-10,15H,4-5,8,11-12H2,(H,19,21)/t15-/m1/s1
InChIKeyVEMPMCCILDQLIZ-OAHLLOKOSA-N
MW353.38 g/mol
LogP2.59
Rot. Bonds5

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

2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 68690761) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
PubChem CID68690761
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2ccn[nH]2)n1
InChIInChI=1S/C18H19N5O3/c24-16(12-25-13-6-2-1-3-7-13)23-11-5-4-8-15(23)17-20-18(26-22-17)14-9-10-19-21-14/h1-3,6-7,9-10,15H,4-5,8,11-12H2,(H,19,21)/t15-/m1/s1
InChIKeyVEMPMCCILDQLIZ-OAHLLOKOSA-N
XLogP2.59
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (CID 68690761) is 2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2ccn[nH]2)n1.
What is the InChIKey of 2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is VEMPMCCILDQLIZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N5O3/c24-16(12-25-13-6-2-1-3-7-13)23-11-5-4-8-15(23)17-20-18(26-22-17)14-9-10-19-21-14/h1-3,6-7,9-10,15H,4-5,8,11-12H2,(H,19,21)/t15-/m1/s1.
What are the key properties of 2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 353.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 68690761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).