3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

C17H13F3N2O2 — CID 29091533

IUPAC3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cc1
InChIInChI=1S/C17H13F3N2O2/c1-23-11-6-4-9(5-7-11)13-8-12(17(18,19)20)14-15(10-2-3-10)22-24-16(14)21-13/h4-8,10H,2-3H2,1H3
InChIKeyWIJPTKNBYXZYCX-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.79
Rot. Bonds3

About 3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 29091533) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID29091533
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cc1
InChIInChI=1S/C17H13F3N2O2/c1-23-11-6-4-9(5-7-11)13-8-12(17(18,19)20)14-15(10-2-3-10)22-24-16(14)21-13/h4-8,10H,2-3H2,1H3
InChIKeyWIJPTKNBYXZYCX-UHFFFAOYSA-N
XLogP4.79
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 29091533) is 3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is COc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cc1.
What is the InChIKey of 3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is WIJPTKNBYXZYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-23-11-6-4-9(5-7-11)13-8-12(17(18,19)20)14-15(10-2-3-10)22-24-16(14)21-13/h4-8,10H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 334.30 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 29091533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).