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

C13H11N3O2 — CID 118867635

IUPAC6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccc(-c2ccc3c(N)noc3n2)cc1
InChIInChI=1S/C13H11N3O2/c1-17-9-4-2-8(3-5-9)11-7-6-10-12(14)16-18-13(10)15-11/h2-7H,1H3,(H2,14,16)
InChIKeyARZDJXOCFVTHDI-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.48
Rot. Bonds2

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

6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine (PubChem CID 118867635) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
PubChem CID118867635
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccc(-c2ccc3c(N)noc3n2)cc1
InChIInChI=1S/C13H11N3O2/c1-17-9-4-2-8(3-5-9)11-7-6-10-12(14)16-18-13(10)15-11/h2-7H,1H3,(H2,14,16)
InChIKeyARZDJXOCFVTHDI-UHFFFAOYSA-N
XLogP2.48
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine (CID 118867635) is 6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine is COc1ccc(-c2ccc3c(N)noc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The InChIKey is ARZDJXOCFVTHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-17-9-4-2-8(3-5-9)11-7-6-10-12(14)16-18-13(10)15-11/h2-7H,1H3,(H2,14,16).
What are the key properties of 6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine has a molecular weight of 241.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 118867635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).