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

C12H9N3O — CID 105464833

IUPAC6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine
SMILESNc1cc(-c2ccccc2)nc2oncc12
InChIInChI=1S/C12H9N3O/c13-10-6-11(8-4-2-1-3-5-8)15-12-9(10)7-14-16-12/h1-7H,(H2,13,15)
InChIKeyVEJKTMNUSRSDCX-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.47
Rot. Bonds1

About 6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine

6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine (PubChem CID 105464833) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine.

Molecular Properties

Compound Name6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine
PubChem CID105464833
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine
SMILESNc1cc(-c2ccccc2)nc2oncc12
InChIInChI=1S/C12H9N3O/c13-10-6-11(8-4-2-1-3-5-8)15-12-9(10)7-14-16-12/h1-7H,(H2,13,15)
InChIKeyVEJKTMNUSRSDCX-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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Related Compounds

2-phenylquinolin-4-amine;hydrochloride
CID 134690731
2-phenylquinolin-4-amine;hydrate
CID 51057793
2-phenyl-1,7-naphthyridin-4-amine
CID 11470076
6-phenyl-1H-pyrazolo[5,4-b]pyridin-4-amine
CID 105463991
5-phenyl-1,2-oxazol-4-amine
CID 45117984
6,8-dimethyl-2-phenylquinolin-4-amine
CID 62201634
6-bromo-8-fluoro-2-phenylquinolin-4-amine
CID 55045457
8-ethyl-2-phenylquinolin-4-amine
CID 55045650
6-bromo-8-chloro-2-phenylquinolin-4-amine
CID 55196336
2,5-diphenylpyridin-4-amine
CID 156768579
2-phenyl-6-phenylmethoxyquinolin-4-amine
CID 113232549
4-hydrazinyl-6-phenylpyrimidin-2-amine
CID 58316685

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine?
The IUPAC name of 6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine (CID 105464833) is 6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine.
What is the SMILES notation for 6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine?
The canonical SMILES for 6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine is Nc1cc(-c2ccccc2)nc2oncc12.
What is the InChIKey of 6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine?
The InChIKey is VEJKTMNUSRSDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-10-6-11(8-4-2-1-3-5-8)15-12-9(10)7-14-16-12/h1-7H,(H2,13,15).
What are the key properties of 6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine?
6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-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 6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-amine is sourced from PubChem (CID 105464833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).