1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one

C19H26N4O3 — CID 70764690

IUPAC1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one
SMILESCOc1ccc(N2CCN(Cc3noc(CC(C)C)n3)C(C)C2=O)cc1
InChIInChI=1S/C19H26N4O3/c1-13(2)11-18-20-17(21-26-18)12-22-9-10-23(19(24)14(22)3)15-5-7-16(25-4)8-6-15/h5-8,13-14H,9-12H2,1-4H3
InChIKeyHYXYUOOEUKIGKR-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.51
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one

1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one (PubChem CID 70764690) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one
PubChem CID70764690
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one
SMILESCOc1ccc(N2CCN(Cc3noc(CC(C)C)n3)C(C)C2=O)cc1
InChIInChI=1S/C19H26N4O3/c1-13(2)11-18-20-17(21-26-18)12-22-9-10-23(19(24)14(22)3)15-5-7-16(25-4)8-6-15/h5-8,13-14H,9-12H2,1-4H3
InChIKeyHYXYUOOEUKIGKR-UHFFFAOYSA-N
XLogP2.51
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one (CID 70764690) is 1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one is COc1ccc(N2CCN(Cc3noc(CC(C)C)n3)C(C)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one?
The InChIKey is HYXYUOOEUKIGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(2)11-18-20-17(21-26-18)12-22-9-10-23(19(24)14(22)3)15-5-7-16(25-4)8-6-15/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one?
1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one has a molecular weight of 358.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 70764690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).