3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

C10H10N2O3 — CID 15926017

IUPAC3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCC(=O)Cc1cnc2c(c1)oc(=O)n2C
InChIInChI=1S/C10H10N2O3/c1-6(13)3-7-4-8-9(11-5-7)12(2)10(14)15-8/h4-5H,3H2,1-2H3
InChIKeyHMIWAWNDSUYRHN-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.66
Rot. Bonds2

About 3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 15926017) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID15926017
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCC(=O)Cc1cnc2c(c1)oc(=O)n2C
InChIInChI=1S/C10H10N2O3/c1-6(13)3-7-4-8-9(11-5-7)12(2)10(14)15-8/h4-5H,3H2,1-2H3
InChIKeyHMIWAWNDSUYRHN-UHFFFAOYSA-N
XLogP0.66
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 15926017) is 3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is CC(=O)Cc1cnc2c(c1)oc(=O)n2C.
What is the InChIKey of 3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is HMIWAWNDSUYRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6(13)3-7-4-8-9(11-5-7)12(2)10(14)15-8/h4-5H,3H2,1-2H3.
What are the key properties of 3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 206.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-oxopropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 15926017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).