5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole

C20H24N4OS — CID 10133646

IUPAC5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole
SMILESc1ccc(CN2CCN(CCCc3cc(-c4nccs4)no3)CC2)cc1
InChIInChI=1S/C20H24N4OS/c1-2-5-17(6-3-1)16-24-12-10-23(11-13-24)9-4-7-18-15-19(22-25-18)20-21-8-14-26-20/h1-3,5-6,8,14-15H,4,7,9-13,16H2
InChIKeyAVAVSXWDHUPOCE-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.55
Rot. Bonds7

About 5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole

5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole (PubChem CID 10133646) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole
PubChem CID10133646
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole
SMILESc1ccc(CN2CCN(CCCc3cc(-c4nccs4)no3)CC2)cc1
InChIInChI=1S/C20H24N4OS/c1-2-5-17(6-3-1)16-24-12-10-23(11-13-24)9-4-7-18-15-19(22-25-18)20-21-8-14-26-20/h1-3,5-6,8,14-15H,4,7,9-13,16H2
InChIKeyAVAVSXWDHUPOCE-UHFFFAOYSA-N
XLogP3.55
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
5-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3-phenoxyphenyl)-1,2-oxazole
CID 142647992
5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole
CID 142647972
N-[3-[3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 20741362
3-(4-chlorophenyl)-5-[3-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]-1,2-oxazole
CID 10115728
4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol
CID 23724014
3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 100950298
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146220638
3-[2-(4-benzylpiperazin-1-yl)ethyl]-1,2-benzoxazole
CID 18377472

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole?
The IUPAC name of 5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole (CID 10133646) is 5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole?
The canonical SMILES for 5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole is c1ccc(CN2CCN(CCCc3cc(-c4nccs4)no3)CC2)cc1.
What is the InChIKey of 5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole?
The InChIKey is AVAVSXWDHUPOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-2-5-17(6-3-1)16-24-12-10-23(11-13-24)9-4-7-18-15-19(22-25-18)20-21-8-14-26-20/h1-3,5-6,8,14-15H,4,7,9-13,16H2.
What are the key properties of 5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole?
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole has a molecular weight of 368.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 10133646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).