3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid

C9H12F3N3O4 — CID 86767867

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid
SMILESCc1nnc(C2COCCN2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H11N3O2.C2HF3O2/c1-5-9-10-7(12-5)6-4-11-3-2-8-6;3-2(4,5)1(6)7/h6,8H,2-4H2,1H3;(H,6,7)
InChIKeyNBWNRDQWKVGRMC-UHFFFAOYSA-N
MW283.21 g/mol
LogP0.67
Rot. Bonds1

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid

3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid (PubChem CID 86767867) has the molecular formula C9H12F3N3O4 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid
PubChem CID86767867
Molecular FormulaC9H12F3N3O4
Molecular Weight283.21 g/mol
Exact Mass283.08
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid
SMILESCc1nnc(C2COCCN2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H11N3O2.C2HF3O2/c1-5-9-10-7(12-5)6-4-11-3-2-8-6;3-2(4,5)1(6)7/h6,8H,2-4H2,1H3;(H,6,7)
InChIKeyNBWNRDQWKVGRMC-UHFFFAOYSA-N
XLogP0.67
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid (CID 86767867) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid is Cc1nnc(C2COCCN2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is NBWNRDQWKVGRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.C2HF3O2/c1-5-9-10-7(12-5)6-4-11-3-2-8-6;3-2(4,5)1(6)7/h6,8H,2-4H2,1H3;(H,6,7).
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid?
3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 283.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86767867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).