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

C20H23N5O — CID 92562032

IUPAC3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2nc([C@@H]3CCCN(Cc4ccccc4C)C3)no2)cn1
InChIInChI=1S/C20H23N5O/c1-14-6-3-4-7-16(14)12-25-9-5-8-17(13-25)19-23-20(26-24-19)18-11-21-15(2)10-22-18/h3-4,6-7,10-11,17H,5,8-9,12-13H2,1-2H3/t17-/m1/s1
InChIKeySFZRCYUQOPFDDH-QGZVFWFLSA-N
MW349.44 g/mol
LogP3.52
Rot. Bonds4

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

3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole (PubChem CID 92562032) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
PubChem CID92562032
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2nc([C@@H]3CCCN(Cc4ccccc4C)C3)no2)cn1
InChIInChI=1S/C20H23N5O/c1-14-6-3-4-7-16(14)12-25-9-5-8-17(13-25)19-23-20(26-24-19)18-11-21-15(2)10-22-18/h3-4,6-7,10-11,17H,5,8-9,12-13H2,1-2H3/t17-/m1/s1
InChIKeySFZRCYUQOPFDDH-QGZVFWFLSA-N
XLogP3.52
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 110221259
(4,5-dimethylthiophen-3-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 110221258
(4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 110221251
5-(5-methylpyrazin-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916447
N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835954
5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63025950
5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 110221177
5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 91828517
2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 110236060
2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 110235609
5-cyclopropyl-3-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 75373746
5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97217338

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole (CID 92562032) is 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole is Cc1cnc(-c2nc([C@@H]3CCCN(Cc4ccccc4C)C3)no2)cn1.
What is the InChIKey of 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is SFZRCYUQOPFDDH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-6-3-4-7-16(14)12-25-9-5-8-17(13-25)19-23-20(26-24-19)18-11-21-15(2)10-22-18/h3-4,6-7,10-11,17H,5,8-9,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 349.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 92562032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).