3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one

C10H12N4O2 — CID 115748007

IUPAC3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
SMILESCC(C)c1nc(Cn2cnccc2=O)no1
InChIInChI=1S/C10H12N4O2/c1-7(2)10-12-8(13-16-10)5-14-6-11-4-3-9(14)15/h3-4,6-7H,5H2,1-2H3
InChIKeyWLPCWRJXUBMMOQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.80
Rot. Bonds3

About 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one

3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one (PubChem CID 115748007) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
PubChem CID115748007
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
SMILESCC(C)c1nc(Cn2cnccc2=O)no1
InChIInChI=1S/C10H12N4O2/c1-7(2)10-12-8(13-16-10)5-14-6-11-4-3-9(14)15/h3-4,6-7H,5H2,1-2H3
InChIKeyWLPCWRJXUBMMOQ-UHFFFAOYSA-N
XLogP0.80
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one (CID 115748007) is 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one is CC(C)c1nc(Cn2cnccc2=O)no1.
What is the InChIKey of 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one?
The InChIKey is WLPCWRJXUBMMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7(2)10-12-8(13-16-10)5-14-6-11-4-3-9(14)15/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one?
3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one has a molecular weight of 220.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 115748007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).