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

C12H8FN3O — CID 53375008

IUPACN-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFc1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C12H8FN3O/c13-8-3-1-4-9(7-8)15-12-11-10(17-16-12)5-2-6-14-11/h1-7H,(H,15,16)
InChIKeyAUDNYCYOYQBLEH-UHFFFAOYSA-N
MW229.21 g/mol
LogP3.11
Rot. Bonds2

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

N-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 53375008) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is N-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID53375008
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC NameN-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFc1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C12H8FN3O/c13-8-3-1-4-9(7-8)15-12-11-10(17-16-12)5-2-6-14-11/h1-7H,(H,15,16)
InChIKeyAUDNYCYOYQBLEH-UHFFFAOYSA-N
XLogP3.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 53375008) is N-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is Fc1cccc(Nc2noc3cccnc23)c1.
What is the InChIKey of N-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is AUDNYCYOYQBLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-8-3-1-4-9(7-8)15-12-11-10(17-16-12)5-2-6-14-11/h1-7H,(H,15,16).
What are the key properties of N-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 229.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 53375008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).