6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one

C7H7N3O2 — CID 67594858

IUPAC6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCn1c(=O)oc2cc(N)cnc21
InChIInChI=1S/C7H7N3O2/c1-10-6-5(12-7(10)11)2-4(8)3-9-6/h2-3H,8H2,1H3
InChIKeyXYFPSOITVHSSNU-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.11
Rot. Bonds

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

6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 67594858) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID67594858
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCn1c(=O)oc2cc(N)cnc21
InChIInChI=1S/C7H7N3O2/c1-10-6-5(12-7(10)11)2-4(8)3-9-6/h2-3H,8H2,1H3
InChIKeyXYFPSOITVHSSNU-UHFFFAOYSA-N
XLogP0.11
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 67594858) is 6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one is Cn1c(=O)oc2cc(N)cnc21.
What is the InChIKey of 6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is XYFPSOITVHSSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-10-6-5(12-7(10)11)2-4(8)3-9-6/h2-3H,8H2,1H3.
What are the key properties of 6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 165.15 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67594858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).