4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole

C21H23F3N2O3 — CID 134961734

IUPAC4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
SMILESFC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CC2CC[C@H](C1)N2
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)28-18-4-2-1-3-16(18)19-17(20(29-26-19)12-5-6-12)11-27-15-9-13-7-8-14(10-15)25-13/h1-4,12-15,25H,5-11H2/t13-,14?,15?/m1/s1
InChIKeyUZEWNQNXRAJOFF-WLYUNCDWSA-N
MW408.42 g/mol
LogP4.92
Rot. Bonds6

About 4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole

4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole (PubChem CID 134961734) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
PubChem CID134961734
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
SMILESFC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CC2CC[C@H](C1)N2
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)28-18-4-2-1-3-16(18)19-17(20(29-26-19)12-5-6-12)11-27-15-9-13-7-8-14(10-15)25-13/h1-4,12-15,25H,5-11H2/t13-,14?,15?/m1/s1
InChIKeyUZEWNQNXRAJOFF-WLYUNCDWSA-N
XLogP4.92
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole with MolForge

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Related Compounds

4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide
CID 162653782
4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 162660218
US20240116912, Example 52
CID 164566686
US20240116912, Example 36
CID 171902563
US20240116912, Example 47
CID 171902572
US20240116912, Example 50
CID 171902574
US20240116912, Example 54
CID 171902576
tert-butyl (5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 134961389
4-(Azepan-4-yloxymethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 66906162
4-[[5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]azepane-1-carboxylic acid
CID 66906358
5-Cyclopropyl-4-((piperidin-4-yloxy)methyl)-3-(2-(trifluoromethoxy)phenyl)isoxazole
CID 67980956
Tert-butyl 4-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)piperidine-1-carboxylate
CID 67981337

Frequently Asked Questions

What is the IUPAC name of 4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole?
The IUPAC name of 4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole (CID 134961734) is 4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole.
What is the SMILES notation for 4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole?
The canonical SMILES for 4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole is FC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CC2CC[C@H](C1)N2.
What is the InChIKey of 4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole?
The InChIKey is UZEWNQNXRAJOFF-WLYUNCDWSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c22-21(23,24)28-18-4-2-1-3-16(18)19-17(20(29-26-19)12-5-6-12)11-27-15-9-13-7-8-14(10-15)25-13/h1-4,12-15,25H,5-11H2/t13-,14?,15?/m1/s1.
What are the key properties of 4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole?
4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole has a molecular weight of 408.42 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole is sourced from PubChem (CID 134961734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).