3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

C24H31N5OS — CID 29257322

IUPAC3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc(C2(c3noc(CN4CCN(Cc5csc(C)n5)CC4)n3)CCCC2)cc1
InChIInChI=1S/C24H31N5OS/c1-18-5-7-20(8-6-18)24(9-3-4-10-24)23-26-22(30-27-23)16-29-13-11-28(12-14-29)15-21-17-31-19(2)25-21/h5-8,17H,3-4,9-16H2,1-2H3
InChIKeyOLWSDYPKMKUDEM-UHFFFAOYSA-N
MW437.61 g/mol
LogP4.32
Rot. Bonds6

About 3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 29257322) has the molecular formula C24H31N5OS and a molecular weight of 437.61 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID29257322
Molecular FormulaC24H31N5OS
Molecular Weight437.61 g/mol
Exact Mass437.22
IUPAC Name3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc(C2(c3noc(CN4CCN(Cc5csc(C)n5)CC4)n3)CCCC2)cc1
InChIInChI=1S/C24H31N5OS/c1-18-5-7-20(8-6-18)24(9-3-4-10-24)23-26-22(30-27-23)16-29-13-11-28(12-14-29)15-21-17-31-19(2)25-21/h5-8,17H,3-4,9-16H2,1-2H3
InChIKeyOLWSDYPKMKUDEM-UHFFFAOYSA-N
XLogP4.32
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29085110
[1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 45219214
(3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 26316206
3-(3,4-dimethoxyphenyl)-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55505939
5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 29085047
[3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120753102
3-[1-(4-methylphenyl)cyclopentyl]-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42517827
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 24896191
3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 143660624
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
3-[1-(4-fluorophenyl)cyclohexyl]-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 70307987

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 29257322) is 3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1ccc(C2(c3noc(CN4CCN(Cc5csc(C)n5)CC4)n3)CCCC2)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is OLWSDYPKMKUDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5OS/c1-18-5-7-20(8-6-18)24(9-3-4-10-24)23-26-22(30-27-23)16-29-13-11-28(12-14-29)15-21-17-31-19(2)25-21/h5-8,17H,3-4,9-16H2,1-2H3.
What are the key properties of 3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 437.61 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 29257322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).