5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole

C15H21N7O — CID 126893851

IUPAC5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CC(N3CCN(c4ncccn4)CC3)C2)no1
InChIInChI=1S/C15H21N7O/c1-12-18-14(19-23-12)11-20-9-13(10-20)21-5-7-22(8-6-21)15-16-3-2-4-17-15/h2-4,13H,5-11H2,1H3
InChIKeyQFKGQBATACCNEA-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.17
Rot. Bonds4

About 5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole

5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 126893851) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID126893851
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CC(N3CCN(c4ncccn4)CC3)C2)no1
InChIInChI=1S/C15H21N7O/c1-12-18-14(19-23-12)11-20-9-13(10-20)21-5-7-22(8-6-21)15-16-3-2-4-17-15/h2-4,13H,5-11H2,1H3
InChIKeyQFKGQBATACCNEA-UHFFFAOYSA-N
XLogP0.17
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126893977
5-cyclopropyl-3-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893518
1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one
CID 126893933
2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893944
N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119147865
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126893915
2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine
CID 126894005
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]benzonitrile
CID 126893849
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126893848
2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
CID 126893855
2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893871
3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126893920

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole (CID 126893851) is 5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CN2CC(N3CCN(c4ncccn4)CC3)C2)no1.
What is the InChIKey of 5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is QFKGQBATACCNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-12-18-14(19-23-12)11-20-9-13(10-20)21-5-7-22(8-6-21)15-16-3-2-4-17-15/h2-4,13H,5-11H2,1H3.
What are the key properties of 5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 315.38 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126893851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).