2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole

C18H12F3N3O4 — CID 58126136

IUPAC2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccc([C@H]2CC(Oc3cccc(-c4nnco4)c3)=NO2)cc1
InChIInChI=1S/C18H12F3N3O4/c19-18(20,21)27-13-6-4-11(5-7-13)15-9-16(24-28-15)26-14-3-1-2-12(8-14)17-23-22-10-25-17/h1-8,10,15H,9H2/t15-/m1/s1
InChIKeyQYXXFGLERRVQID-OAHLLOKOSA-N
MW391.31 g/mol
LogP4.49
Rot. Bonds4

About 2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole

2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole (PubChem CID 58126136) has the molecular formula C18H12F3N3O4 and a molecular weight of 391.31 g/mol. Its IUPAC name is 2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
PubChem CID58126136
Molecular FormulaC18H12F3N3O4
Molecular Weight391.31 g/mol
Exact Mass391.08
IUPAC Name2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccc([C@H]2CC(Oc3cccc(-c4nnco4)c3)=NO2)cc1
InChIInChI=1S/C18H12F3N3O4/c19-18(20,21)27-13-6-4-11(5-7-13)15-9-16(24-28-15)26-14-3-1-2-12(8-14)17-23-22-10-25-17/h1-8,10,15H,9H2/t15-/m1/s1
InChIKeyQYXXFGLERRVQID-OAHLLOKOSA-N
XLogP4.49
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
CID 58126425
2-[3-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole
CID 58126386
2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
CID 159974072
(5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
CID 88979399
5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxylic acid
CID 88979428
(5S)-3-[[6-(2H-triazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
CID 58126028
(5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole
CID 58126017
(5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
CID 162121836
(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
CID 58126595
methyl 2-[[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carbonyl]amino]acetate
CID 88979581
(5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
CID 58126472
2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
CID 58126245

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole (CID 58126136) is 2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole is FC(F)(F)Oc1ccc([C@H]2CC(Oc3cccc(-c4nnco4)c3)=NO2)cc1.
What is the InChIKey of 2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is QYXXFGLERRVQID-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H12F3N3O4/c19-18(20,21)27-13-6-4-11(5-7-13)15-9-16(24-28-15)26-14-3-1-2-12(8-14)17-23-22-10-25-17/h1-8,10,15H,9H2/t15-/m1/s1.
What are the key properties of 2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?
2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 391.31 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58126136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).