1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one

C23H34N4O2 — CID 110419772

IUPAC1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
SMILESCCc1nnc(N2CCN(C(=O)CC(c3ccc(C(C)C)cc3)C(C)C)CC2)o1
InChIInChI=1S/C23H34N4O2/c1-6-21-24-25-23(29-21)27-13-11-26(12-14-27)22(28)15-20(17(4)5)19-9-7-18(8-10-19)16(2)3/h7-10,16-17,20H,6,11-15H2,1-5H3
InChIKeyJFMZHYUYCKEXAG-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.23
Rot. Bonds7

About 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one

1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one (PubChem CID 110419772) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one.

Molecular Properties

Compound Name1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
PubChem CID110419772
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
SMILESCCc1nnc(N2CCN(C(=O)CC(c3ccc(C(C)C)cc3)C(C)C)CC2)o1
InChIInChI=1S/C23H34N4O2/c1-6-21-24-25-23(29-21)27-13-11-26(12-14-27)22(28)15-20(17(4)5)19-9-7-18(8-10-19)16(2)3/h7-10,16-17,20H,6,11-15H2,1-5H3
InChIKeyJFMZHYUYCKEXAG-UHFFFAOYSA-N
XLogP4.23
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110419618
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one
CID 110610777
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110665148
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110419867
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110603080
methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 110419224
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110419180
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 110617475
3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110610756
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110665149
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110419164
[4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 97315741

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one?
The IUPAC name of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one (CID 110419772) is 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one.
What is the SMILES notation for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one?
The canonical SMILES for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one is CCc1nnc(N2CCN(C(=O)CC(c3ccc(C(C)C)cc3)C(C)C)CC2)o1.
What is the InChIKey of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one?
The InChIKey is JFMZHYUYCKEXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-6-21-24-25-23(29-21)27-13-11-26(12-14-27)22(28)15-20(17(4)5)19-9-7-18(8-10-19)16(2)3/h7-10,16-17,20H,6,11-15H2,1-5H3.
What are the key properties of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one?
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one has a molecular weight of 398.55 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one is sourced from PubChem (CID 110419772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).