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

C15H13F3N4O — CID 29091549

IUPAC3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCCn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cn1
InChIInChI=1S/C15H13F3N4O/c1-2-22-7-9(6-19-22)11-5-10(15(16,17)18)12-13(8-3-4-8)21-23-14(12)20-11/h5-8H,2-4H2,1H3
InChIKeyNAFVXMUTOVIGGL-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.00
Rot. Bonds3

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

3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 29091549) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID29091549
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCCn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cn1
InChIInChI=1S/C15H13F3N4O/c1-2-22-7-9(6-19-22)11-5-10(15(16,17)18)12-13(8-3-4-8)21-23-14(12)20-11/h5-8H,2-4H2,1H3
InChIKeyNAFVXMUTOVIGGL-UHFFFAOYSA-N
XLogP4.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 29091549) is 3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is CCn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cn1.
What is the InChIKey of 3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is NAFVXMUTOVIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-2-22-7-9(6-19-22)11-5-10(15(16,17)18)12-13(8-3-4-8)21-23-14(12)20-11/h5-8H,2-4H2,1H3.
What are the key properties of 3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 322.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 29091549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).