5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one

C20H17F3N2O4 — CID 135122218

IUPAC5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2ccc(OC3CCC(c4cccc(OC(F)(F)F)c4)C3)nc2)o[nH]1
InChIInChI=1S/C20H17F3N2O4/c21-20(22,23)28-16-3-1-2-12(9-16)13-4-6-15(8-13)27-19-7-5-14(11-24-19)17-10-18(26)25-29-17/h1-3,5,7,9-11,13,15H,4,6,8H2,(H,25,26)
InChIKeyWHVXUOFNBGLJRF-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.64
Rot. Bonds5

About 5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one

5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one (PubChem CID 135122218) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is 5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one
PubChem CID135122218
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC Name5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2ccc(OC3CCC(c4cccc(OC(F)(F)F)c4)C3)nc2)o[nH]1
InChIInChI=1S/C20H17F3N2O4/c21-20(22,23)28-16-3-1-2-12(9-16)13-4-6-15(8-13)27-19-7-5-14(11-24-19)17-10-18(26)25-29-17/h1-3,5,7,9-11,13,15H,4,6,8H2,(H,25,26)
InChIKeyWHVXUOFNBGLJRF-UHFFFAOYSA-N
XLogP4.64
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one (CID 135122218) is 5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one is O=c1cc(-c2ccc(OC3CCC(c4cccc(OC(F)(F)F)c4)C3)nc2)o[nH]1.
What is the InChIKey of 5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one?
The InChIKey is WHVXUOFNBGLJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c21-20(22,23)28-16-3-1-2-12(9-16)13-4-6-15(8-13)27-19-7-5-14(11-24-19)17-10-18(26)25-29-17/h1-3,5,7,9-11,13,15H,4,6,8H2,(H,25,26).
What are the key properties of 5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one?
5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one has a molecular weight of 406.36 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one is sourced from PubChem (CID 135122218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).