5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine

C18H13FN4O — CID 134805649

IUPAC5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(Nc3ccncc3)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C18H13FN4O/c1-11-17-18(24-23-11)16(21-14-6-8-20-9-7-14)10-15(22-17)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,21,22)
InChIKeyVRGXGFIIDJYUKH-UHFFFAOYSA-N
MW320.33 g/mol
LogP4.48
Rot. Bonds3

About 5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine

5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134805649) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134805649
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(Nc3ccncc3)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C18H13FN4O/c1-11-17-18(24-23-11)16(21-14-6-8-20-9-7-14)10-15(22-17)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,21,22)
InChIKeyVRGXGFIIDJYUKH-UHFFFAOYSA-N
XLogP4.48
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-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 5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134805649) is 5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine is Cc1noc2c(Nc3ccncc3)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is VRGXGFIIDJYUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-11-17-18(24-23-11)16(21-14-6-8-20-9-7-14)10-15(22-17)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,21,22).
What are the key properties of 5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 320.33 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134805649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).