4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile

C19H23N5O2 — CID 133457691

IUPAC4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile
SMILESCCc1noc(C(C)N2CCN(c3cc(C(C)=O)ccc3C#N)CC2)n1
InChIInChI=1S/C19H23N5O2/c1-4-18-21-19(26-22-18)13(2)23-7-9-24(10-8-23)17-11-15(14(3)25)5-6-16(17)12-20/h5-6,11,13H,4,7-10H2,1-3H3
InChIKeyBRICNPYTMJNVRQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.59
Rot. Bonds5

About 4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile

4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile (PubChem CID 133457691) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile
PubChem CID133457691
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile
SMILESCCc1noc(C(C)N2CCN(c3cc(C(C)=O)ccc3C#N)CC2)n1
InChIInChI=1S/C19H23N5O2/c1-4-18-21-19(26-22-18)13(2)23-7-9-24(10-8-23)17-11-15(14(3)25)5-6-16(17)12-20/h5-6,11,13H,4,7-10H2,1-3H3
InChIKeyBRICNPYTMJNVRQ-UHFFFAOYSA-N
XLogP2.59
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile 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

2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360
[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 42955070
3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 133311387
4-acetyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]benzonitrile
CID 133458273
[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 51936604
2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]benzonitrile
CID 94452073
1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile
CID 48939790
1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone
CID 78881465
4-acetyl-2-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile
CID 133466286
4-acetyl-2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]benzonitrile
CID 133456181
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780
2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide
CID 133466533

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile (CID 133457691) is 4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile is CCc1noc(C(C)N2CCN(c3cc(C(C)=O)ccc3C#N)CC2)n1.
What is the InChIKey of 4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile?
The InChIKey is BRICNPYTMJNVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-18-21-19(26-22-18)13(2)23-7-9-24(10-8-23)17-11-15(14(3)25)5-6-16(17)12-20/h5-6,11,13H,4,7-10H2,1-3H3.
What are the key properties of 4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile?
4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile has a molecular weight of 353.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 133457691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).