2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C20H17F3N2O3 — CID 167961300

IUPAC2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2nnc(-c3cccc(OCC4CCCO4)c3)o2)c1
InChIInChI=1S/C20H17F3N2O3/c21-20(22,23)15-6-1-4-13(10-15)18-24-25-19(28-18)14-5-2-7-16(11-14)27-12-17-8-3-9-26-17/h1-2,4-7,10-11,17H,3,8-9,12H2
InChIKeyIEIOQSFXSIXIHL-UHFFFAOYSA-N
MW390.36 g/mol
LogP4.98
Rot. Bonds5

About 2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 167961300) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID167961300
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2nnc(-c3cccc(OCC4CCCO4)c3)o2)c1
InChIInChI=1S/C20H17F3N2O3/c21-20(22,23)15-6-1-4-13(10-15)18-24-25-19(28-18)14-5-2-7-16(11-14)27-12-17-8-3-9-26-17/h1-2,4-7,10-11,17H,3,8-9,12H2
InChIKeyIEIOQSFXSIXIHL-UHFFFAOYSA-N
XLogP4.98
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
3-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 24696878
1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854977
1-[[(2R)-oxolan-2-yl]methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
CID 175730577
2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)benzonitrile
CID 43331128
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride
CID 17151637
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
2-[4-[(4-methoxyphenoxy)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 19550338
2-(chloromethyl)oxirane;5-(oxiran-2-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole;2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-ol
CID 159270980

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 167961300) is 2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is FC(F)(F)c1cccc(-c2nnc(-c3cccc(OCC4CCCO4)c3)o2)c1.
What is the InChIKey of 2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is IEIOQSFXSIXIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c21-20(22,23)15-6-1-4-13(10-15)18-24-25-19(28-18)14-5-2-7-16(11-14)27-12-17-8-3-9-26-17/h1-2,4-7,10-11,17H,3,8-9,12H2.
What are the key properties of 2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 390.36 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 167961300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).