5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C17H25N7O — CID 163349084

IUPAC5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(N2CCN(Cc3noc(C)n3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C17H25N7O/c1-13-11-16(20-17(18-13)24-5-3-4-6-24)23-9-7-22(8-10-23)12-15-19-14(2)25-21-15/h11H,3-10,12H2,1-2H3
InChIKeyYDMNCWXBOLHUIQ-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.40
Rot. Bonds4

About 5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 163349084) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID163349084
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(N2CCN(Cc3noc(C)n3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C17H25N7O/c1-13-11-16(20-17(18-13)24-5-3-4-6-24)23-9-7-22(8-10-23)12-15-19-14(2)25-21-15/h11H,3-10,12H2,1-2H3
InChIKeyYDMNCWXBOLHUIQ-UHFFFAOYSA-N
XLogP1.40
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-methyl-5-[[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 163352684
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 166604615
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 146074504
3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431847
2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 166604581
3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 75433334
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339514
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155980957
4-methyl-6-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155799816
3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431907

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 163349084) is 5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cc(N2CCN(Cc3noc(C)n3)CC2)nc(N2CCCC2)n1.
What is the InChIKey of 5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is YDMNCWXBOLHUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-13-11-16(20-17(18-13)24-5-3-4-6-24)23-9-7-22(8-10-23)12-15-19-14(2)25-21-15/h11H,3-10,12H2,1-2H3.
What are the key properties of 5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 343.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 163349084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).