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

C19H21N3OS — CID 142647972

IUPAC5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole
SMILESc1ccc(N2CCN(CCc3cc(-c4cccs4)no3)CC2)cc1
InChIInChI=1S/C19H21N3OS/c1-2-5-16(6-3-1)22-12-10-21(11-13-22)9-8-17-15-18(20-23-17)19-7-4-14-24-19/h1-7,14-15H,8-13H2
InChIKeyIMFSRCWHKWOBDI-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.77
Rot. Bonds5

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

5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole (PubChem CID 142647972) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole
PubChem CID142647972
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole
SMILESc1ccc(N2CCN(CCc3cc(-c4cccs4)no3)CC2)cc1
InChIInChI=1S/C19H21N3OS/c1-2-5-16(6-3-1)22-12-10-21(11-13-22)9-8-17-15-18(20-23-17)19-7-4-14-24-19/h1-7,14-15H,8-13H2
InChIKeyIMFSRCWHKWOBDI-UHFFFAOYSA-N
XLogP3.77
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole
CID 22727358
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole
CID 10133646
5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51113619
3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole
CID 10527502
3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 10270713
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
1-(2-morpholin-4-ylethyl)-3-(4-phenylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553661
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 38125111
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 51178058
5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
CID 142390486
N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62424365

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole (CID 142647972) is 5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole is c1ccc(N2CCN(CCc3cc(-c4cccs4)no3)CC2)cc1.
What is the InChIKey of 5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole?
The InChIKey is IMFSRCWHKWOBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-2-5-16(6-3-1)22-12-10-21(11-13-22)9-8-17-15-18(20-23-17)19-7-4-14-24-19/h1-7,14-15H,8-13H2.
What are the key properties of 5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole?
5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole has a molecular weight of 339.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 142647972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).