3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C19H23N5OS — CID 133372388

IUPAC3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(c3nc(-c4ccccc4)cs3)CC2)n1
InChIInChI=1S/C19H23N5OS/c1-3-17-21-18(25-22-17)14(2)23-9-11-24(12-10-23)19-20-16(13-26-19)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyKINOSMNMTXLEPM-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.64
Rot. Bonds5

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

3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 133372388) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID133372388
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(c3nc(-c4ccccc4)cs3)CC2)n1
InChIInChI=1S/C19H23N5OS/c1-3-17-21-18(25-22-17)14(2)23-9-11-24(12-10-23)19-20-16(13-26-19)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyKINOSMNMTXLEPM-UHFFFAOYSA-N
XLogP3.64
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
(1S)-2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-phenylethanol
CID 95315467
3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95283702
3-ethyl-5-[(1R)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95283701
5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 75805432
(2R)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 97191698
(2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol
CID 95299369
3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56684956
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360
2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 119880668
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 133372388) is 3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is CCc1noc(C(C)N2CCN(c3nc(-c4ccccc4)cs3)CC2)n1.
What is the InChIKey of 3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is KINOSMNMTXLEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-3-17-21-18(25-22-17)14(2)23-9-11-24(12-10-23)19-20-16(13-26-19)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of 3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 369.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 133372388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).