3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C18H24N6O — CID 56810202

IUPAC3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(C)n2cc(CN3CCN(Cc4cc(C)on4)CC3)nc2n1
InChIInChI=1S/C18H24N6O/c1-13-8-14(2)24-12-17(20-18(24)19-13)11-23-6-4-22(5-7-23)10-16-9-15(3)25-21-16/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyHGCZBOVYERYDBX-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.96
Rot. Bonds4

About 3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 56810202) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID56810202
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(C)n2cc(CN3CCN(Cc4cc(C)on4)CC3)nc2n1
InChIInChI=1S/C18H24N6O/c1-13-8-14(2)24-12-17(20-18(24)19-13)11-23-6-4-22(5-7-23)10-16-9-15(3)25-21-16/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyHGCZBOVYERYDBX-UHFFFAOYSA-N
XLogP1.96
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 56810202) is 3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(C)n2cc(CN3CCN(Cc4cc(C)on4)CC3)nc2n1.
What is the InChIKey of 3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is HGCZBOVYERYDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-8-14(2)24-12-17(20-18(24)19-13)11-23-6-4-22(5-7-23)10-16-9-15(3)25-21-16/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 340.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 56810202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).