2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

C20H22N4O2S — CID 92560617

IUPAC2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCC(c3nnc(-c4scnc4C)o3)CC2)c1
InChIInChI=1S/C20H22N4O2S/c1-13-4-3-5-15(10-13)11-17(25)24-8-6-16(7-9-24)19-22-23-20(26-19)18-14(2)21-12-27-18/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyHZZROZQSSPELGV-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.76
Rot. Bonds4

About 2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 92560617) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID92560617
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCC(c3nnc(-c4scnc4C)o3)CC2)c1
InChIInChI=1S/C20H22N4O2S/c1-13-4-3-5-15(10-13)11-17(25)24-8-6-16(7-9-24)19-22-23-20(26-19)18-14(2)21-12-27-18/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyHZZROZQSSPELGV-UHFFFAOYSA-N
XLogP3.76
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (CID 92560617) is 2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is Cc1cccc(CC(=O)N2CCC(c3nnc(-c4scnc4C)o3)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is HZZROZQSSPELGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13-4-3-5-15(10-13)11-17(25)24-8-6-16(7-9-24)19-22-23-20(26-19)18-14(2)21-12-27-18/h3-5,10,12,16H,6-9,11H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 382.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92560617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).