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

C15H10F4N2O3 — CID 58126020

IUPAC(5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
SMILESFc1cc([C@@H]2CC(Oc3cccnc3)=NO2)ccc1OC(F)(F)F
InChIInChI=1S/C15H10F4N2O3/c16-11-6-9(3-4-12(11)23-15(17,18)19)13-7-14(21-24-13)22-10-2-1-5-20-8-10/h1-6,8,13H,7H2/t13-/m0/s1
InChIKeyPZYMGWDGWILLRB-ZDUSSCGKSA-N
MW342.25 g/mol
LogP3.97
Rot. Bonds3

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

(5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole (PubChem CID 58126020) has the molecular formula C15H10F4N2O3 and a molecular weight of 342.25 g/mol. Its IUPAC name is (5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
PubChem CID58126020
Molecular FormulaC15H10F4N2O3
Molecular Weight342.25 g/mol
Exact Mass342.06
IUPAC Name(5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
SMILESFc1cc([C@@H]2CC(Oc3cccnc3)=NO2)ccc1OC(F)(F)F
InChIInChI=1S/C15H10F4N2O3/c16-11-6-9(3-4-12(11)23-15(17,18)19)13-7-14(21-24-13)22-10-2-1-5-20-8-10/h1-6,8,13H,7H2/t13-/m0/s1
InChIKeyPZYMGWDGWILLRB-ZDUSSCGKSA-N
XLogP3.97
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-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 (5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole (CID 58126020) is (5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole is Fc1cc([C@@H]2CC(Oc3cccnc3)=NO2)ccc1OC(F)(F)F.
What is the InChIKey of (5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole?
The InChIKey is PZYMGWDGWILLRB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H10F4N2O3/c16-11-6-9(3-4-12(11)23-15(17,18)19)13-7-14(21-24-13)22-10-2-1-5-20-8-10/h1-6,8,13H,7H2/t13-/m0/s1.
What are the key properties of (5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole?
(5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole has a molecular weight of 342.25 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).