3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one

C9H11N3O2 — CID 82143832

IUPAC3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCC(CN)n1c(=O)oc2cccnc21
InChIInChI=1S/C9H11N3O2/c1-6(5-10)12-8-7(14-9(12)13)3-2-4-11-8/h2-4,6H,5,10H2,1H3
InChIKeyIBMQEKYQFHDUAW-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.51
Rot. Bonds2

About 3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one

3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 82143832) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID82143832
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCC(CN)n1c(=O)oc2cccnc21
InChIInChI=1S/C9H11N3O2/c1-6(5-10)12-8-7(14-9(12)13)3-2-4-11-8/h2-4,6H,5,10H2,1H3
InChIKeyIBMQEKYQFHDUAW-UHFFFAOYSA-N
XLogP0.51
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 82143832) is 3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one is CC(CN)n1c(=O)oc2cccnc21.
What is the InChIKey of 3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is IBMQEKYQFHDUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6(5-10)12-8-7(14-9(12)13)3-2-4-11-8/h2-4,6H,5,10H2,1H3.
What are the key properties of 3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 193.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 82143832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).