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

C15H20N6O — CID 126893977

IUPAC4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
SMILESc1cnc(N2CCN(C3CN(Cc4cocn4)C3)CC2)nc1
InChIInChI=1S/C15H20N6O/c1-2-16-15(17-3-1)21-6-4-20(5-7-21)14-9-19(10-14)8-13-11-22-12-18-13/h1-3,11-12,14H,4-10H2
InChIKeyOGLWULUNBKDFSC-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.47
Rot. Bonds4

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

4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole (PubChem CID 126893977) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
PubChem CID126893977
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
SMILESc1cnc(N2CCN(C3CN(Cc4cocn4)C3)CC2)nc1
InChIInChI=1S/C15H20N6O/c1-2-16-15(17-3-1)21-6-4-20(5-7-21)14-9-19(10-14)8-13-11-22-12-18-13/h1-3,11-12,14H,4-10H2
InChIKeyOGLWULUNBKDFSC-UHFFFAOYSA-N
XLogP0.47
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893944
2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
CID 126893855
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126893918
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
5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893851
1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one
CID 126893933
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]benzonitrile
CID 126893849
4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 171700812
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
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126893848
1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol
CID 126894080
2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine
CID 126894005

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole (CID 126893977) is 4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole is c1cnc(N2CCN(C3CN(Cc4cocn4)C3)CC2)nc1.
What is the InChIKey of 4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is OGLWULUNBKDFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-2-16-15(17-3-1)21-6-4-20(5-7-21)14-9-19(10-14)8-13-11-22-12-18-13/h1-3,11-12,14H,4-10H2.
What are the key properties of 4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole?
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 300.37 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 126893977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).