4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole

C11H5F3N4O2 — CID 170553010

IUPAC4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole
SMILESFC(F)(F)c1onnc1-c1nnoc1-c1ccccc1
InChIInChI=1S/C11H5F3N4O2/c12-11(13,14)10-8(16-18-20-10)7-9(19-17-15-7)6-4-2-1-3-5-6/h1-5H
InChIKeyKJJGMFLTCMEPGO-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.81
Rot. Bonds2

About 4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole

4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole (PubChem CID 170553010) has the molecular formula C11H5F3N4O2 and a molecular weight of 282.18 g/mol. Its IUPAC name is 4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole.

Molecular Properties

Compound Name4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole
PubChem CID170553010
Molecular FormulaC11H5F3N4O2
Molecular Weight282.18 g/mol
Exact Mass282.04
IUPAC Name4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole
SMILESFC(F)(F)c1onnc1-c1nnoc1-c1ccccc1
InChIInChI=1S/C11H5F3N4O2/c12-11(13,14)10-8(16-18-20-10)7-9(19-17-15-7)6-4-2-1-3-5-6/h1-5H
InChIKeyKJJGMFLTCMEPGO-UHFFFAOYSA-N
XLogP2.81
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole?
The IUPAC name of 4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole (CID 170553010) is 4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole.
What is the SMILES notation for 4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole?
The canonical SMILES for 4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole is FC(F)(F)c1onnc1-c1nnoc1-c1ccccc1.
What is the InChIKey of 4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole?
The InChIKey is KJJGMFLTCMEPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N4O2/c12-11(13,14)10-8(16-18-20-10)7-9(19-17-15-7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole?
4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole has a molecular weight of 282.18 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyloxadiazol-4-yl)-5-(trifluoromethyl)oxadiazole is sourced from PubChem (CID 170553010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).