5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole

C19H27ClN4O2 — CID 52909116

IUPAC5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@H](C)N2CCN(CCOc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H27ClN4O2/c1-3-4-18-21-19(26-22-18)15(2)24-11-9-23(10-12-24)13-14-25-17-7-5-16(20)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3/t15-/m0/s1
InChIKeyPKMYGGXALMOZLJ-HNNXBMFYSA-N
MW378.90 g/mol
LogP3.43
Rot. Bonds8

About 5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole

5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 52909116) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID52909116
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@H](C)N2CCN(CCOc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H27ClN4O2/c1-3-4-18-21-19(26-22-18)15(2)24-11-9-23(10-12-24)13-14-25-17-7-5-16(20)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3/t15-/m0/s1
InChIKeyPKMYGGXALMOZLJ-HNNXBMFYSA-N
XLogP3.43
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole 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

3-propyl-5-[(1S)-1-(4-propylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95285928
5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95311723
3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 47053117
5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 94000629
3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 167837913
3-[2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethoxy]benzonitrile
CID 95311377
[3-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752530
5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 39985790
1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol
CID 111461981
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 95159602
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 85009172

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole (CID 52909116) is 5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc([C@H](C)N2CCN(CCOc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is PKMYGGXALMOZLJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-3-4-18-21-19(26-22-18)15(2)24-11-9-23(10-12-24)13-14-25-17-7-5-16(20)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 378.90 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 52909116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).