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

C13H11N3O — CID 130311058

IUPAC5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESCc1ccc(-c2cnc3onc(N)c3c2)cc1
InChIInChI=1S/C13H11N3O/c1-8-2-4-9(5-3-8)10-6-11-12(14)16-17-13(11)15-7-10/h2-7H,1H3,(H2,14,16)
InChIKeyGMSDSNMBBIUMJJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.78
Rot. Bonds1

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

5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine (PubChem CID 130311058) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
PubChem CID130311058
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESCc1ccc(-c2cnc3onc(N)c3c2)cc1
InChIInChI=1S/C13H11N3O/c1-8-2-4-9(5-3-8)10-6-11-12(14)16-17-13(11)15-7-10/h2-7H,1H3,(H2,14,16)
InChIKeyGMSDSNMBBIUMJJ-UHFFFAOYSA-N
XLogP2.78
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine (CID 130311058) is 5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine is Cc1ccc(-c2cnc3onc(N)c3c2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The InChIKey is GMSDSNMBBIUMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-2-4-9(5-3-8)10-6-11-12(14)16-17-13(11)15-7-10/h2-7H,1H3,(H2,14,16).
What are the key properties of 5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine has a molecular weight of 225.25 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 130311058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).