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

C18H11F4N3O4 — CID 58126425

IUPAC2-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
SMILESFc1ccc(OC2=NO[C@@H](c3ccc(OC(F)(F)F)cc3)C2)cc1-c1nnco1
InChIInChI=1S/C18H11F4N3O4/c19-14-6-5-12(7-13(14)17-24-23-9-26-17)27-16-8-15(29-25-16)10-1-3-11(4-2-10)28-18(20,21)22/h1-7,9,15H,8H2/t15-/m1/s1
InChIKeyWSUYCJJAKFAWFA-OAHLLOKOSA-N
MW409.30 g/mol
LogP4.63
Rot. Bonds4

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

2-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole (PubChem CID 58126425) has the molecular formula C18H11F4N3O4 and a molecular weight of 409.30 g/mol. Its IUPAC name is 2-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
PubChem CID58126425
Molecular FormulaC18H11F4N3O4
Molecular Weight409.30 g/mol
Exact Mass409.07
IUPAC Name2-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
SMILESFc1ccc(OC2=NO[C@@H](c3ccc(OC(F)(F)F)cc3)C2)cc1-c1nnco1
InChIInChI=1S/C18H11F4N3O4/c19-14-6-5-12(7-13(14)17-24-23-9-26-17)27-16-8-15(29-25-16)10-1-3-11(4-2-10)28-18(20,21)22/h1-7,9,15H,8H2/t15-/m1/s1
InChIKeyWSUYCJJAKFAWFA-OAHLLOKOSA-N
XLogP4.63
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
CID 58126136
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
(5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
CID 88979399
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
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
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)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 58126225
(5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 58126593
(5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole
CID 58126017
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
2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole
CID 86810427

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 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) is 2-[2-fluoro-5-[[(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-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole is Fc1ccc(OC2=NO[C@@H](c3ccc(OC(F)(F)F)cc3)C2)cc1-c1nnco1.
What is the InChIKey of 2-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is WSUYCJJAKFAWFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H11F4N3O4/c19-14-6-5-12(7-13(14)17-24-23-9-26-17)27-16-8-15(29-25-16)10-1-3-11(4-2-10)28-18(20,21)22/h1-7,9,15H,8H2/t15-/m1/s1.
What are the key properties of 2-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?
2-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 409.30 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58126425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).