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

C24H34N4O — CID 29085110

IUPAC3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(C2(c3noc(CN4CCC(N5CCCC5)CC4)n3)CCCC2)cc1
InChIInChI=1S/C24H34N4O/c1-19-6-8-20(9-7-19)24(12-2-3-13-24)23-25-22(29-26-23)18-27-16-10-21(11-17-27)28-14-4-5-15-28/h6-9,21H,2-5,10-18H2,1H3
InChIKeyRFEOSCMGUCGURT-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.30
Rot. Bonds5

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

3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 29085110) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID29085110
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(C2(c3noc(CN4CCC(N5CCCC5)CC4)n3)CCCC2)cc1
InChIInChI=1S/C24H34N4O/c1-19-6-8-20(9-7-19)24(12-2-3-13-24)23-25-22(29-26-23)18-27-16-10-21(11-17-27)28-14-4-5-15-28/h6-9,21H,2-5,10-18H2,1H3
InChIKeyRFEOSCMGUCGURT-UHFFFAOYSA-N
XLogP4.30
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

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
(3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 26316206
[1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 45219214
1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 25449787
3-[1-(4-methylphenyl)cyclopentyl]-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42517827
3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 143660624
5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 24896191
3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 25282589
5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 45187557
3-[1-(4-fluorophenyl)cyclohexyl]-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 70307987
N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide
CID 143660616
N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine
CID 42194644

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 29085110) is 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is Cc1ccc(C2(c3noc(CN4CCC(N5CCCC5)CC4)n3)CCCC2)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is RFEOSCMGUCGURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-19-6-8-20(9-7-19)24(12-2-3-13-24)23-25-22(29-26-23)18-27-16-10-21(11-17-27)28-14-4-5-15-28/h6-9,21H,2-5,10-18H2,1H3.
What are the key properties of 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 394.56 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 29085110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).