5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine

C14H14F3N3O2 — CID 138057811

IUPAC5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)CNc1nnc([C@H]2OCC[C@H]2c2ccccc2)o1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)8-18-13-20-19-12(22-13)11-10(6-7-21-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,18,20)/t10-,11-/m0/s1
InChIKeyGCZSZZPWDWYKPT-QWRGUYRKSA-N
MW313.28 g/mol
LogP3.29
Rot. Bonds4

About 5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine

5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 138057811) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
PubChem CID138057811
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)CNc1nnc([C@H]2OCC[C@H]2c2ccccc2)o1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)8-18-13-20-19-12(22-13)11-10(6-7-21-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,18,20)/t10-,11-/m0/s1
InChIKeyGCZSZZPWDWYKPT-QWRGUYRKSA-N
XLogP3.29
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine (CID 138057811) is 5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine is FC(F)(F)CNc1nnc([C@H]2OCC[C@H]2c2ccccc2)o1.
What is the InChIKey of 5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GCZSZZPWDWYKPT-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c15-14(16,17)8-18-13-20-19-12(22-13)11-10(6-7-21-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,18,20)/t10-,11-/m0/s1.
What are the key properties of 5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 313.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3S)-3-phenyloxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 138057811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).