2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine

C8H9N3O2 — CID 82337499

IUPAC2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
SMILESCOCc1nc2ncc(N)cc2o1
InChIInChI=1S/C8H9N3O2/c1-12-4-7-11-8-6(13-7)2-5(9)3-10-8/h2-3H,4,9H2,1H3
InChIKeyQERGRQVBIWRFHH-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.95
Rot. Bonds2

About 2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine

2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine (PubChem CID 82337499) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
PubChem CID82337499
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
SMILESCOCc1nc2ncc(N)cc2o1
InChIInChI=1S/C8H9N3O2/c1-12-4-7-11-8-6(13-7)2-5(9)3-10-8/h2-3H,4,9H2,1H3
InChIKeyQERGRQVBIWRFHH-UHFFFAOYSA-N
XLogP0.95
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine (CID 82337499) is 2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine is COCc1nc2ncc(N)cc2o1.
What is the InChIKey of 2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The InChIKey is QERGRQVBIWRFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-12-4-7-11-8-6(13-7)2-5(9)3-10-8/h2-3H,4,9H2,1H3.
What are the key properties of 2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine?
2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine has a molecular weight of 179.18 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 82337499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).