6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

C17H11F3N4O — CID 29091199

IUPAC6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCn1cc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cn1
InChIInChI=1S/C17H11F3N4O/c1-24-9-11(8-21-24)13-7-12(17(18,19)20)14-15(23-25-16(14)22-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyHGGICXZHHIREKC-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.31
Rot. Bonds2

About 6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 29091199) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID29091199
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCn1cc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cn1
InChIInChI=1S/C17H11F3N4O/c1-24-9-11(8-21-24)13-7-12(17(18,19)20)14-15(23-25-16(14)22-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyHGGICXZHHIREKC-UHFFFAOYSA-N
XLogP4.31
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine 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 6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 29091199) is 6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is Cn1cc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is HGGICXZHHIREKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c1-24-9-11(8-21-24)13-7-12(17(18,19)20)14-15(23-25-16(14)22-13)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 344.30 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 29091199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).