5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine

C12H9N3O — CID 6539531

IUPAC5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESNc1noc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C12H9N3O/c13-11-10-6-9(7-14-12(10)16-15-11)8-4-2-1-3-5-8/h1-7H,(H2,13,15)
InChIKeyFDGRAWJKMFJLQE-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.47
Rot. Bonds1

About 5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine

5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine (PubChem CID 6539531) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
PubChem CID6539531
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESNc1noc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C12H9N3O/c13-11-10-6-9(7-14-12(10)16-15-11)8-4-2-1-3-5-8/h1-7H,(H2,13,15)
InChIKeyFDGRAWJKMFJLQE-UHFFFAOYSA-N
XLogP2.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine (CID 6539531) is 5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine is Nc1noc2ncc(-c3ccccc3)cc12.
What is the InChIKey of 5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The InChIKey is FDGRAWJKMFJLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-11-10-6-9(7-14-12(10)16-15-11)8-4-2-1-3-5-8/h1-7H,(H2,13,15).
What are the key properties of 5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine?
5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine has a molecular weight of 211.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-[1,2]oxazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 6539531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).