4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine

C8H10F3N3O2 — CID 83959783

IUPAC4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESFC(F)(F)c1nnc(CN2CCOCC2)o1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)7-13-12-6(16-7)5-14-1-3-15-4-2-14/h1-5H2
InChIKeyOCWCKRSLFHGKIG-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.92
Rot. Bonds2

About 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine

4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine (PubChem CID 83959783) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
PubChem CID83959783
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESFC(F)(F)c1nnc(CN2CCOCC2)o1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)7-13-12-6(16-7)5-14-1-3-15-4-2-14/h1-5H2
InChIKeyOCWCKRSLFHGKIG-UHFFFAOYSA-N
XLogP0.92
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 56788633
2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 72017268
2-Propan-2-yl-5-[[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56428170
N-ethyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 83959780
N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 83959781
2-(Piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 83959782
2-(Piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 83959785
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856874
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857824
2-(2,2-difluoroethoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 105910769
2-[2,2-Difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 107485017
2-[2,2-Difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 107485569

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine (CID 83959783) is 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine is FC(F)(F)c1nnc(CN2CCOCC2)o1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The InChIKey is OCWCKRSLFHGKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)7-13-12-6(16-7)5-14-1-3-15-4-2-14/h1-5H2.
What are the key properties of 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine has a molecular weight of 237.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 83959783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).