3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole

C20H25N5O2 — CID 95708917

IUPAC3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc([C@@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)n1
InChIInChI=1S/C20H25N5O2/c1-26-11-9-19-22-20(27-23-19)17-6-5-10-24(15-17)13-16-12-21-25(14-16)18-7-3-2-4-8-18/h2-4,7-8,12,14,17H,5-6,9-11,13,15H2,1H3/t17-/m1/s1
InChIKeyPGZDQQPUBROFJV-QGZVFWFLSA-N
MW367.45 g/mol
LogP2.82
Rot. Bonds7

About 3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 95708917) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID95708917
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc([C@@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)n1
InChIInChI=1S/C20H25N5O2/c1-26-11-9-19-22-20(27-23-19)17-6-5-10-24(15-17)13-16-12-21-25(14-16)18-7-3-2-4-8-18/h2-4,7-8,12,14,17H,5-6,9-11,13,15H2,1H3/t17-/m1/s1
InChIKeyPGZDQQPUBROFJV-QGZVFWFLSA-N
XLogP2.82
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole (CID 95708917) is 3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole is COCCc1noc([C@@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is PGZDQQPUBROFJV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-26-11-9-19-22-20(27-23-19)17-6-5-10-24(15-17)13-16-12-21-25(14-16)18-7-3-2-4-8-18/h2-4,7-8,12,14,17H,5-6,9-11,13,15H2,1H3/t17-/m1/s1.
What are the key properties of 3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 367.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95708917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).