3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C11H15N3O2 — CID 166689009

IUPAC3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCCCC(C)n1cnc2onc(C)c2c1=O
InChIInChI=1S/C11H15N3O2/c1-4-5-7(2)14-6-12-10-9(11(14)15)8(3)13-16-10/h6-7H,4-5H2,1-3H3
InChIKeyYMMBKOBCYBSYIW-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.05
Rot. Bonds3

About 3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 166689009) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID166689009
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCCCC(C)n1cnc2onc(C)c2c1=O
InChIInChI=1S/C11H15N3O2/c1-4-5-7(2)14-6-12-10-9(11(14)15)8(3)13-16-10/h6-7H,4-5H2,1-3H3
InChIKeyYMMBKOBCYBSYIW-UHFFFAOYSA-N
XLogP2.05
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 166689009) is 3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one is CCCC(C)n1cnc2onc(C)c2c1=O.
What is the InChIKey of 3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YMMBKOBCYBSYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-4-5-7(2)14-6-12-10-9(11(14)15)8(3)13-16-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166689009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).