(5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole

C16H13F3N2O2 — CID 58126593

IUPAC(5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(OC2=NO[C@H](c3ccc(C(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C16H13F3N2O2/c1-10-2-7-13(9-20-10)22-15-8-14(23-21-15)11-3-5-12(6-4-11)16(17,18)19/h2-7,9,14H,8H2,1H3/t14-/m0/s1
InChIKeyKBSXCCLRITZBLK-AWEZNQCLSA-N
MW322.29 g/mol
LogP4.26
Rot. Bonds2

About (5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole

(5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 58126593) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is (5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID58126593
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name(5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(OC2=NO[C@H](c3ccc(C(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C16H13F3N2O2/c1-10-2-7-13(9-20-10)22-15-8-14(23-21-15)11-3-5-12(6-4-11)16(17,18)19/h2-7,9,14H,8H2,1H3/t14-/m0/s1
InChIKeyKBSXCCLRITZBLK-AWEZNQCLSA-N
XLogP4.26
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole with MolForge

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Related Compounds

Pilavapadin
CID 118419773
Aqw-051
CID 50914822
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
CID 9840916
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
3-(4-Methoxy-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480238
3-(4-Fluoro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480242
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenethyl-pyridine
CID 44371959
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-p-tolyl-pyridine
CID 44372094
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(4-trifluoromethyl-phenyl)-pyridine
CID 44372121
US10155760, Example 45
CID 118419778
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole (CID 58126593) is (5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole is Cc1ccc(OC2=NO[C@H](c3ccc(C(F)(F)F)cc3)C2)cn1.
What is the InChIKey of (5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is KBSXCCLRITZBLK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-10-2-7-13(9-20-10)22-15-8-14(23-21-15)11-3-5-12(6-4-11)16(17,18)19/h2-7,9,14H,8H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
(5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 322.29 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).