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

C13H8F3N3O — CID 2323908

IUPAC3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(-c3cccnc3)cc(C(F)(F)F)c12
InChIInChI=1S/C13H8F3N3O/c1-7-11-9(13(14,15)16)5-10(18-12(11)20-19-7)8-3-2-4-17-6-8/h2-6H,1H3
InChIKeyCKISRUYHZQUZQB-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.61
Rot. Bonds1

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

3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 2323908) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID2323908
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(-c3cccnc3)cc(C(F)(F)F)c12
InChIInChI=1S/C13H8F3N3O/c1-7-11-9(13(14,15)16)5-10(18-12(11)20-19-7)8-3-2-4-17-6-8/h2-6H,1H3
InChIKeyCKISRUYHZQUZQB-UHFFFAOYSA-N
XLogP3.61
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazole
CID 9816180
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 58659496
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 118706305
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 118706306
3-Methyl-6-phenyl-4-(trifluoromethyl)isoxazolo(5,4-B)pyridine
CID 2324446
Isoxazolopyridine deriv. 7
CID 6539531
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-4-phenylbutanamide
CID 118706307
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 118706303
4-(4-Fluorophenyl)-3-pyridin-4-yl-1,2-oxazole
CID 49823286
6-((5-(3,5-Difluorophenyl)isoxazolo[5,4-b]pyridin-3-yl)difluoromethyl)quinoline
CID 57691220
3-[Difluoro(quinolin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 57691324

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 2323908) is 3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is Cc1noc2nc(-c3cccnc3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is CKISRUYHZQUZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c1-7-11-9(13(14,15)16)5-10(18-12(11)20-19-7)8-3-2-4-17-6-8/h2-6H,1H3.
What are the key properties of 3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 279.22 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 2323908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).