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

C19H13F4N3O4 — CID 58126245

IUPAC2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
SMILESC[C@]1(c2ccc(OC(F)(F)F)cc2)CC(Oc2ccc(F)c(-c3nnco3)c2)=NO1
InChIInChI=1S/C19H13F4N3O4/c1-18(11-2-4-12(5-3-11)29-19(21,22)23)9-16(26-30-18)28-13-6-7-15(20)14(8-13)17-25-24-10-27-17/h2-8,10H,9H2,1H3/t18-/m1/s1
InChIKeyOSDDFECQNVXUGV-GOSISDBHSA-N
MW423.32 g/mol
LogP4.80
Rot. Bonds4

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

2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole (PubChem CID 58126245) has the molecular formula C19H13F4N3O4 and a molecular weight of 423.32 g/mol. Its IUPAC name is 2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
PubChem CID58126245
Molecular FormulaC19H13F4N3O4
Molecular Weight423.32 g/mol
Exact Mass423.08
IUPAC Name2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
SMILESC[C@]1(c2ccc(OC(F)(F)F)cc2)CC(Oc2ccc(F)c(-c3nnco3)c2)=NO1
InChIInChI=1S/C19H13F4N3O4/c1-18(11-2-4-12(5-3-11)29-19(21,22)23)9-16(26-30-18)28-13-6-7-15(20)14(8-13)17-25-24-10-27-17/h2-8,10H,9H2,1H3/t18-/m1/s1
InChIKeyOSDDFECQNVXUGV-GOSISDBHSA-N
XLogP4.80
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole with MolForge

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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
N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 58126279
2-[3-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
CID 58126136
2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole
CID 86810427
2-[2-fluoro-5-(trifluoromethoxy)phenyl]furan
CID 168524951
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
(5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
CID 88979399
2-(2-fluoro-4-iodophenyl)-1,3,4-oxadiazole
CID 171373650
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole
CID 70145048
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 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) is 2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole is C[C@]1(c2ccc(OC(F)(F)F)cc2)CC(Oc2ccc(F)c(-c3nnco3)c2)=NO1.
What is the InChIKey of 2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is OSDDFECQNVXUGV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H13F4N3O4/c1-18(11-2-4-12(5-3-11)29-19(21,22)23)9-16(26-30-18)28-13-6-7-15(20)14(8-13)17-25-24-10-27-17/h2-8,10H,9H2,1H3/t18-/m1/s1.
What are the key properties of 2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?
2-[2-fluoro-5-[[(5R)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 423.32 g/mol, XLogP of 4.80, 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-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58126245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).