5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole

C21H25N3OS — CID 22727358

IUPAC5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole
SMILESc1ccc(N2CCN(CCCCc3cc(-c4cccs4)no3)CC2)cc1
InChIInChI=1S/C21H25N3OS/c1-2-7-18(8-3-1)24-14-12-23(13-15-24)11-5-4-9-19-17-20(22-25-19)21-10-6-16-26-21/h1-3,6-8,10,16-17H,4-5,9,11-15H2
InChIKeyRJETZHUBOZSCPH-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.55
Rot. Bonds7

About 5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole

5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole (PubChem CID 22727358) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole
PubChem CID22727358
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole
SMILESc1ccc(N2CCN(CCCCc3cc(-c4cccs4)no3)CC2)cc1
InChIInChI=1S/C21H25N3OS/c1-2-7-18(8-3-1)24-14-12-23(13-15-24)11-5-4-9-19-17-20(22-25-19)21-10-6-16-26-21/h1-3,6-8,10,16-17H,4-5,9,11-15H2
InChIKeyRJETZHUBOZSCPH-UHFFFAOYSA-N
XLogP4.55
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole
CID 142647972
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole
CID 10133646
3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 10270713
5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
CID 142390486
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole
CID 22727335
ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 177319242
3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole
CID 10527502
5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole
CID 10766519
5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 87015676
5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51113619
2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111061937
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole (CID 22727358) is 5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole is c1ccc(N2CCN(CCCCc3cc(-c4cccs4)no3)CC2)cc1.
What is the InChIKey of 5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole?
The InChIKey is RJETZHUBOZSCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-2-7-18(8-3-1)24-14-12-23(13-15-24)11-5-4-9-19-17-20(22-25-19)21-10-6-16-26-21/h1-3,6-8,10,16-17H,4-5,9,11-15H2.
What are the key properties of 5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole?
5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole has a molecular weight of 367.52 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 22727358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).