(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone

C24H26N4O4 — CID 55586338

IUPAC(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCc4noc(C)n4)cc3)CC2)cc1
InChIInChI=1S/C24H26N4O4/c1-3-18-4-6-19(7-5-18)23(29)27-12-14-28(15-13-27)24(30)20-8-10-21(11-9-20)31-16-22-25-17(2)32-26-22/h4-11H,3,12-16H2,1-2H3
InChIKeyVYTKKMFCOCGUQM-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.12
Rot. Bonds6

About (4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone

(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone (PubChem CID 55586338) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone
PubChem CID55586338
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCc4noc(C)n4)cc3)CC2)cc1
InChIInChI=1S/C24H26N4O4/c1-3-18-4-6-19(7-5-18)23(29)27-12-14-28(15-13-27)24(30)20-8-10-21(11-9-20)31-16-22-25-17(2)32-26-22/h4-11H,3,12-16H2,1-2H3
InChIKeyVYTKKMFCOCGUQM-UHFFFAOYSA-N
XLogP3.12
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
tert-butyl 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazine-1-carboxylate
CID 31122195
(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 46516189
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55494322
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 55590615
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55499668
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 16595051
(2,4-dimethylpiperazin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 71877224
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 38358623
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 18209867
N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 55818555

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone (CID 55586338) is (4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCc4noc(C)n4)cc3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone?
The InChIKey is VYTKKMFCOCGUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-3-18-4-6-19(7-5-18)23(29)27-12-14-28(15-13-27)24(30)20-8-10-21(11-9-20)31-16-22-25-17(2)32-26-22/h4-11H,3,12-16H2,1-2H3.
What are the key properties of (4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone has a molecular weight of 434.50 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55586338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).