2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole

C21H23ClN4O2 — CID 51225270

IUPAC2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(N2CCN(C(C)c3nnc(-c4cccc(Cl)c4)o3)CC2)cc1
InChIInChI=1S/C21H23ClN4O2/c1-15(20-23-24-21(28-20)16-4-3-5-17(22)14-16)25-10-12-26(13-11-25)18-6-8-19(27-2)9-7-18/h3-9,14-15H,10-13H2,1-2H3
InChIKeyRNCVQAWUTCPOJJ-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.28
Rot. Bonds5

About 2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole

2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 51225270) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID51225270
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(N2CCN(C(C)c3nnc(-c4cccc(Cl)c4)o3)CC2)cc1
InChIInChI=1S/C21H23ClN4O2/c1-15(20-23-24-21(28-20)16-4-3-5-17(22)14-16)25-10-12-26(13-11-25)18-6-8-19(27-2)9-7-18/h3-9,14-15H,10-13H2,1-2H3
InChIKeyRNCVQAWUTCPOJJ-UHFFFAOYSA-N
XLogP4.28
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-5-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308998
2-(3-chlorophenyl)-5-[(1R)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308994
2-(3-chlorophenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 8620018
2-(3-methylphenyl)-5-[1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 17396975
2-(3-chlorophenyl)-5-[1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 46595701
[4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 55544052
(2R,6S)-4-[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,6-dimethylmorpholine
CID 29241115
2-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 86885580
4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine
CID 51294713
2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8693491
2-[(1R)-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 95579503
2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 8596494

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole (CID 51225270) is 2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole is COc1ccc(N2CCN(C(C)c3nnc(-c4cccc(Cl)c4)o3)CC2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is RNCVQAWUTCPOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-15(20-23-24-21(28-20)16-4-3-5-17(22)14-16)25-10-12-26(13-11-25)18-6-8-19(27-2)9-7-18/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 398.89 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 51225270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).