(5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole

C15H11F3N2O3 — CID 58126124

IUPAC(5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)Oc1ccc([C@H]2CC(Oc3cccnc3)=NO2)cc1
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)22-11-5-3-10(4-6-11)13-8-14(20-23-13)21-12-2-1-7-19-9-12/h1-7,9,13H,8H2/t13-/m1/s1
InChIKeyJLLJYHLZTJSKNJ-CYBMUJFWSA-N
MW324.26 g/mol
LogP3.83
Rot. Bonds3

About (5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole

(5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 58126124) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is (5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID58126124
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name(5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)Oc1ccc([C@H]2CC(Oc3cccnc3)=NO2)cc1
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)22-11-5-3-10(4-6-11)13-8-14(20-23-13)21-12-2-1-7-19-9-12/h1-7,9,13H,8H2/t13-/m1/s1
InChIKeyJLLJYHLZTJSKNJ-CYBMUJFWSA-N
XLogP3.83
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole (CID 58126124) is (5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole is FC(F)(F)Oc1ccc([C@H]2CC(Oc3cccnc3)=NO2)cc1.
What is the InChIKey of (5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is JLLJYHLZTJSKNJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c16-15(17,18)22-11-5-3-10(4-6-11)13-8-14(20-23-13)21-12-2-1-7-19-9-12/h1-7,9,13H,8H2/t13-/m1/s1.
What are the key properties of (5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
(5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 324.26 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-pyridin-3-yloxy-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).