3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole

C13H17N5O — CID 3235556

IUPAC3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1nccc(N2CCNCC2)n1
InChIInChI=1S/C13H17N5O/c1-9-12(10(2)19-17-9)13-15-4-3-11(16-13)18-7-5-14-6-8-18/h3-4,14H,5-8H2,1-2H3
InChIKeyIGYFEDSIFWNFOU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.16
Rot. Bonds2

About 3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole

3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole (PubChem CID 3235556) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole
PubChem CID3235556
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1nccc(N2CCNCC2)n1
InChIInChI=1S/C13H17N5O/c1-9-12(10(2)19-17-9)13-15-4-3-11(16-13)18-7-5-14-6-8-18/h3-4,14H,5-8H2,1-2H3
InChIKeyIGYFEDSIFWNFOU-UHFFFAOYSA-N
XLogP1.16
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole (CID 3235556) is 3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole is Cc1noc(C)c1-c1nccc(N2CCNCC2)n1.
What is the InChIKey of 3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole?
The InChIKey is IGYFEDSIFWNFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-12(10(2)19-17-9)13-15-4-3-11(16-13)18-7-5-14-6-8-18/h3-4,14H,5-8H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole?
3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole has a molecular weight of 259.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole is sourced from PubChem (CID 3235556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).