(5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole

C16H12F4N2O4 — CID 88979399

IUPAC(5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ncc(OC2=NO[C@@H](c3ccc(OC(F)(F)F)cc3)C2)cc1F
InChIInChI=1S/C16H12F4N2O4/c1-23-15-12(17)6-11(8-21-15)24-14-7-13(26-22-14)9-2-4-10(5-3-9)25-16(18,19)20/h2-6,8,13H,7H2,1H3/t13-/m1/s1
InChIKeyAGGIAAATFZOUKX-CYBMUJFWSA-N
MW372.27 g/mol
LogP3.98
Rot. Bonds4

About (5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole

(5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 88979399) has the molecular formula C16H12F4N2O4 and a molecular weight of 372.27 g/mol. Its IUPAC name is (5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID88979399
Molecular FormulaC16H12F4N2O4
Molecular Weight372.27 g/mol
Exact Mass372.07
IUPAC Name(5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ncc(OC2=NO[C@@H](c3ccc(OC(F)(F)F)cc3)C2)cc1F
InChIInChI=1S/C16H12F4N2O4/c1-23-15-12(17)6-11(8-21-15)24-14-7-13(26-22-14)9-2-4-10(5-3-9)25-16(18,19)20/h2-6,8,13H,7H2,1H3/t13-/m1/s1
InChIKeyAGGIAAATFZOUKX-CYBMUJFWSA-N
XLogP3.98
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole 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 (5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole (CID 88979399) is (5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole is COc1ncc(OC2=NO[C@@H](c3ccc(OC(F)(F)F)cc3)C2)cc1F.
What is the InChIKey of (5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is AGGIAAATFZOUKX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H12F4N2O4/c1-23-15-12(17)6-11(8-21-15)24-14-7-13(26-22-14)9-2-4-10(5-3-9)25-16(18,19)20/h2-6,8,13H,7H2,1H3/t13-/m1/s1.
What are the key properties of (5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
(5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 372.27 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 88979399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).