4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole

C15H20N4O3 — CID 154580773

IUPAC4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1cnc(OC2CCN(Cc3ncoc3C)CC2)nc1
InChIInChI=1S/C15H20N4O3/c1-11-14(18-10-21-11)9-19-5-3-12(4-6-19)22-15-16-7-13(20-2)8-17-15/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyQGRBRMDRDZGAPA-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.83
Rot. Bonds5

About 4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole

4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 154580773) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID154580773
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1cnc(OC2CCN(Cc3ncoc3C)CC2)nc1
InChIInChI=1S/C15H20N4O3/c1-11-14(18-10-21-11)9-19-5-3-12(4-6-19)22-15-16-7-13(20-2)8-17-15/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyQGRBRMDRDZGAPA-UHFFFAOYSA-N
XLogP1.83
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 154580773) is 4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole is COc1cnc(OC2CCN(Cc3ncoc3C)CC2)nc1.
What is the InChIKey of 4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is QGRBRMDRDZGAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-11-14(18-10-21-11)9-19-5-3-12(4-6-19)22-15-16-7-13(20-2)8-17-15/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of 4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 304.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 154580773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).