[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine

C13H11N3O — CID 22754802

IUPAC[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C13H11N3O/c14-8-9-3-1-4-10(7-9)13-16-12-11(17-13)5-2-6-15-12/h1-7H,8,14H2
InChIKeyKSOIZAUIMVMSJP-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.35
Rot. Bonds2

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

[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine (PubChem CID 22754802) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is [3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
PubChem CID22754802
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C13H11N3O/c14-8-9-3-1-4-10(7-9)13-16-12-11(17-13)5-2-6-15-12/h1-7H,8,14H2
InChIKeyKSOIZAUIMVMSJP-UHFFFAOYSA-N
XLogP2.35
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine?
The IUPAC name of [3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine (CID 22754802) is [3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine?
The canonical SMILES for [3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine is NCc1cccc(-c2nc3ncccc3o2)c1.
What is the InChIKey of [3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine?
The InChIKey is KSOIZAUIMVMSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-9-3-1-4-10(7-9)13-16-12-11(17-13)5-2-6-15-12/h1-7H,8,14H2.
What are the key properties of [3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine?
[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine has a molecular weight of 225.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine is sourced from PubChem (CID 22754802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).