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

C13H7F4N3O — CID 53375107

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFc1ccc(Nc2noc3cccnc23)cc1C(F)(F)F
InChIInChI=1S/C13H7F4N3O/c14-9-4-3-7(6-8(9)13(15,16)17)19-12-11-10(21-20-12)2-1-5-18-11/h1-6H,(H,19,20)
InChIKeyDBUZAEWMGDDBOE-UHFFFAOYSA-N
MW297.21 g/mol
LogP4.12
Rot. Bonds2

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

N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 53375107) has the molecular formula C13H7F4N3O and a molecular weight of 297.21 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID53375107
Molecular FormulaC13H7F4N3O
Molecular Weight297.21 g/mol
Exact Mass297.05
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFc1ccc(Nc2noc3cccnc23)cc1C(F)(F)F
InChIInChI=1S/C13H7F4N3O/c14-9-4-3-7(6-8(9)13(15,16)17)19-12-11-10(21-20-12)2-1-5-18-11/h1-6H,(H,19,20)
InChIKeyDBUZAEWMGDDBOE-UHFFFAOYSA-N
XLogP4.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 53375107) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is Fc1ccc(Nc2noc3cccnc23)cc1C(F)(F)F.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is DBUZAEWMGDDBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3O/c14-9-4-3-7(6-8(9)13(15,16)17)19-12-11-10(21-20-12)2-1-5-18-11/h1-6H,(H,19,20).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 297.21 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 53375107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).