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

C11H14F3N3O2 — CID 56871079

IUPAC4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(Cc2nnc(C3CC3)o2)CCO1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)8-5-17(3-4-18-8)6-9-15-16-10(19-9)7-1-2-7/h7-8H,1-6H2
InChIKeyPPZOHNJPFXUJGU-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.71
Rot. Bonds3

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

4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine (PubChem CID 56871079) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine
PubChem CID56871079
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(Cc2nnc(C3CC3)o2)CCO1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)8-5-17(3-4-18-8)6-9-15-16-10(19-9)7-1-2-7/h7-8H,1-6H2
InChIKeyPPZOHNJPFXUJGU-UHFFFAOYSA-N
XLogP1.71
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine (CID 56871079) is 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine is FC(F)(F)C1CN(Cc2nnc(C3CC3)o2)CCO1.
What is the InChIKey of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is PPZOHNJPFXUJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)8-5-17(3-4-18-8)6-9-15-16-10(19-9)7-1-2-7/h7-8H,1-6H2.
What are the key properties of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine?
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 277.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56871079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).