6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

C9H10N2O2 — CID 118654391

IUPAC6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCC(C)c1cnc2[nH]c(=O)oc2c1
InChIInChI=1S/C9H10N2O2/c1-5(2)6-3-7-8(10-4-6)11-9(12)13-7/h3-5H,1-2H3,(H,10,11,12)
InChIKeyBOHVXUCCXKHOOR-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.64
Rot. Bonds1

About 6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 118654391) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID118654391
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCC(C)c1cnc2[nH]c(=O)oc2c1
InChIInChI=1S/C9H10N2O2/c1-5(2)6-3-7-8(10-4-6)11-9(12)13-7/h3-5H,1-2H3,(H,10,11,12)
InChIKeyBOHVXUCCXKHOOR-UHFFFAOYSA-N
XLogP1.64
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 118654391) is 6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is CC(C)c1cnc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is BOHVXUCCXKHOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5(2)6-3-7-8(10-4-6)11-9(12)13-7/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of 6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 178.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 118654391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).