3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole

C13H16N4O — CID 95833537

IUPAC3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole
SMILESCc1cc(-c2cncnc2C2CCNCC2)on1
InChIInChI=1S/C13H16N4O/c1-9-6-12(18-17-9)11-7-15-8-16-13(11)10-2-4-14-5-3-10/h6-8,10,14H,2-5H2,1H3
InChIKeyVCLOWINNYJUTQH-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.91
Rot. Bonds2

About 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole

3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole (PubChem CID 95833537) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole
PubChem CID95833537
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole
SMILESCc1cc(-c2cncnc2C2CCNCC2)on1
InChIInChI=1S/C13H16N4O/c1-9-6-12(18-17-9)11-7-15-8-16-13(11)10-2-4-14-5-3-10/h6-8,10,14H,2-5H2,1H3
InChIKeyVCLOWINNYJUTQH-UHFFFAOYSA-N
XLogP1.91
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole (CID 95833537) is 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole is Cc1cc(-c2cncnc2C2CCNCC2)on1.
What is the InChIKey of 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole?
The InChIKey is VCLOWINNYJUTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-12(18-17-9)11-7-15-8-16-13(11)10-2-4-14-5-3-10/h6-8,10,14H,2-5H2,1H3.
What are the key properties of 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole?
3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole has a molecular weight of 244.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole is sourced from PubChem (CID 95833537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).