2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole

C20H17F3N2O2 — CID 56804019

IUPAC2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)c1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)16-8-4-7-15(13-16)19(9-11-26-12-10-19)18-25-24-17(27-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyODKOHHQYQRLGDQ-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.85
Rot. Bonds3

About 2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole

2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole (PubChem CID 56804019) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole
PubChem CID56804019
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)c1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)16-8-4-7-15(13-16)19(9-11-26-12-10-19)18-25-24-17(27-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyODKOHHQYQRLGDQ-UHFFFAOYSA-N
XLogP4.85
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole (CID 56804019) is 2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole is FC(F)(F)c1cccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)c1.
What is the InChIKey of 2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole?
The InChIKey is ODKOHHQYQRLGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-20(22,23)16-8-4-7-15(13-16)19(9-11-26-12-10-19)18-25-24-17(27-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2.
What are the key properties of 2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole?
2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole has a molecular weight of 374.36 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 56804019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).