5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C15H17F3N4O2 — CID 110456556

IUPAC5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nnc(CCN3CCOCC3)o2)c1
InChIInChI=1S/C15H17F3N4O2/c16-15(17,18)11-2-1-3-12(10-11)19-14-21-20-13(24-14)4-5-22-6-8-23-9-7-22/h1-3,10H,4-9H2,(H,19,21)
InChIKeyKUDMJKPUMITWNU-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.71
Rot. Bonds5

About 5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 110456556) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID110456556
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nnc(CCN3CCOCC3)o2)c1
InChIInChI=1S/C15H17F3N4O2/c16-15(17,18)11-2-1-3-12(10-11)19-14-21-20-13(24-14)4-5-22-6-8-23-9-7-22/h1-3,10H,4-9H2,(H,19,21)
InChIKeyKUDMJKPUMITWNU-UHFFFAOYSA-N
XLogP2.71
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 110456556) is 5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)c1cccc(Nc2nnc(CCN3CCOCC3)o2)c1.
What is the InChIKey of 5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KUDMJKPUMITWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c16-15(17,18)11-2-1-3-12(10-11)19-14-21-20-13(24-14)4-5-22-6-8-23-9-7-22/h1-3,10H,4-9H2,(H,19,21).
What are the key properties of 5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 342.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).