2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone

C18H19N5O2 — CID 138035418

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone
SMILESCc1nnc(CC(=O)N2CCN(c3ccnc4ccccc34)CC2)o1
InChIInChI=1S/C18H19N5O2/c1-13-20-21-17(25-13)12-18(24)23-10-8-22(9-11-23)16-6-7-19-15-5-3-2-4-14(15)16/h2-7H,8-12H2,1H3
InChIKeyCHJOROXWSNPLJB-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.82
Rot. Bonds3

About 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone

2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone (PubChem CID 138035418) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone
PubChem CID138035418
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone
SMILESCc1nnc(CC(=O)N2CCN(c3ccnc4ccccc34)CC2)o1
InChIInChI=1S/C18H19N5O2/c1-13-20-21-17(25-13)12-18(24)23-10-8-22(9-11-23)16-6-7-19-15-5-3-2-4-14(15)16/h2-7H,8-12H2,1H3
InChIKeyCHJOROXWSNPLJB-UHFFFAOYSA-N
XLogP1.82
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-morpholin-4-yl-2-(4-quinolin-4-ylpiperazin-1-yl)ethanone
CID 75370496
1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 136523299
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110396163
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone
CID 82508040
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110665105
4-chloro-4,4-difluoro-1-(4-quinolin-4-ylpiperazin-1-yl)but-2-en-1-one
CID 66835574
1-quinolin-4-ylpiperidin-4-one
CID 22000285
(1-methylpyrazol-3-yl)-(4-quinolin-4-yl-1,4-diazepan-1-yl)methanone
CID 172903448
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one
CID 110396127
2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133467687
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110665106

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone (CID 138035418) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone is Cc1nnc(CC(=O)N2CCN(c3ccnc4ccccc34)CC2)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone?
The InChIKey is CHJOROXWSNPLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-20-21-17(25-13)12-18(24)23-10-8-22(9-11-23)16-6-7-19-15-5-3-2-4-14(15)16/h2-7H,8-12H2,1H3.
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone?
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone has a molecular weight of 337.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(4-quinolin-4-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 138035418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).