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

C14H8F5N3O2 — CID 53373686

IUPACN-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFC(F)(F)C(F)(F)Oc1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C14H8F5N3O2/c15-13(16,17)14(18,19)23-9-4-1-3-8(7-9)21-12-11-10(24-22-12)5-2-6-20-11/h1-7H,(H,21,22)
InChIKeyIKKYOQQIRVUYEN-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.50
Rot. Bonds4

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

N-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 53373686) has the molecular formula C14H8F5N3O2 and a molecular weight of 345.23 g/mol. Its IUPAC name is N-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID53373686
Molecular FormulaC14H8F5N3O2
Molecular Weight345.23 g/mol
Exact Mass345.05
IUPAC NameN-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFC(F)(F)C(F)(F)Oc1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C14H8F5N3O2/c15-13(16,17)14(18,19)23-9-4-1-3-8(7-9)21-12-11-10(24-22-12)5-2-6-20-11/h1-7H,(H,21,22)
InChIKeyIKKYOQQIRVUYEN-UHFFFAOYSA-N
XLogP4.50
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[3-(1,1,2,2,2-pentafluoroethoxy)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-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 53373686) is N-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is FC(F)(F)C(F)(F)Oc1cccc(Nc2noc3cccnc23)c1.
What is the InChIKey of N-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is IKKYOQQIRVUYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3O2/c15-13(16,17)14(18,19)23-9-4-1-3-8(7-9)21-12-11-10(24-22-12)5-2-6-20-11/h1-7H,(H,21,22).
What are the key properties of N-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 345.23 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 53373686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).