1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone

C22H25N5O2 — CID 53134096

IUPAC1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCCc1nnc(-c2cccnc2N2CCN(C(=O)Cc3cccc(C)c3)CC2)o1
InChIInChI=1S/C22H25N5O2/c1-3-19-24-25-22(29-19)18-8-5-9-23-21(18)27-12-10-26(11-13-27)20(28)15-17-7-4-6-16(2)14-17/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyBUIZGNLJZHHZAW-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.89
Rot. Bonds5

About 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone

1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 53134096) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID53134096
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCCc1nnc(-c2cccnc2N2CCN(C(=O)Cc3cccc(C)c3)CC2)o1
InChIInChI=1S/C22H25N5O2/c1-3-19-24-25-22(29-19)18-8-5-9-23-21(18)27-12-10-26(11-13-27)20(28)15-17-7-4-6-16(2)14-17/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyBUIZGNLJZHHZAW-UHFFFAOYSA-N
XLogP2.89
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone with MolForge

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Related Compounds

1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one
CID 87050172
N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
CID 53134103
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110665106
1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
CID 133328444
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 53134037
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110665149
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 139512630
2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 13298536
2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110818393
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 71843277
3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]benzonitrile
CID 113080956
2-(3,4-difluorophenoxy)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 53134054

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone (CID 53134096) is 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone is CCc1nnc(-c2cccnc2N2CCN(C(=O)Cc3cccc(C)c3)CC2)o1.
What is the InChIKey of 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is BUIZGNLJZHHZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-19-24-25-22(29-19)18-8-5-9-23-21(18)27-12-10-26(11-13-27)20(28)15-17-7-4-6-16(2)14-17/h4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone?
1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 391.48 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 53134096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).