3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole

C17H24N6O — CID 56876787

IUPAC3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3nccc(C4CCCC4)n3)CC2)no1
InChIInChI=1S/C17H24N6O/c1-13-19-16(21-24-13)12-22-8-10-23(11-9-22)17-18-7-6-15(20-17)14-4-2-3-5-14/h6-7,14H,2-5,8-12H2,1H3
InChIKeyZHCJIINYROBRPD-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.15
Rot. Bonds4

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

3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 56876787) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID56876787
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3nccc(C4CCCC4)n3)CC2)no1
InChIInChI=1S/C17H24N6O/c1-13-19-16(21-24-13)12-22-8-10-23(11-9-22)17-18-7-6-15(20-17)14-4-2-3-5-14/h6-7,14H,2-5,8-12H2,1H3
InChIKeyZHCJIINYROBRPD-UHFFFAOYSA-N
XLogP2.15
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56701122
N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide
CID 56867847
1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 56872162
4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 56918212
5-Methyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 66509232
3-[1-(4-Methylpyrimidin-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 72130925
5-Ethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72130927
5-Ethyl-3-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72136108
5-Propan-2-yl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 72149620
6-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrimidin-4-amine
CID 72869158
3-[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 95824258
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110249232

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 56876787) is 3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CN2CCN(c3nccc(C4CCCC4)n3)CC2)no1.
What is the InChIKey of 3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is ZHCJIINYROBRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-19-16(21-24-13)12-22-8-10-23(11-9-22)17-18-7-6-15(20-17)14-4-2-3-5-14/h6-7,14H,2-5,8-12H2,1H3.
What are the key properties of 3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 328.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 56876787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).