3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one

C10H11F3N2O2 — CID 55202188

IUPAC3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one
SMILESO=C(Cc1nc(C2CCCC2)no1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7(16)5-8-14-9(15-17-8)6-3-1-2-4-6/h6H,1-5H2
InChIKeyPJHYCVFFSHZIDZ-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.40
Rot. Bonds3

About 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one

3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one (PubChem CID 55202188) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one
PubChem CID55202188
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one
SMILESO=C(Cc1nc(C2CCCC2)no1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7(16)5-8-14-9(15-17-8)6-3-1-2-4-6/h6H,1-5H2
InChIKeyPJHYCVFFSHZIDZ-UHFFFAOYSA-N
XLogP2.40
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one (CID 55202188) is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one is O=C(Cc1nc(C2CCCC2)no1)C(F)(F)F.
What is the InChIKey of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one?
The InChIKey is PJHYCVFFSHZIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)7(16)5-8-14-9(15-17-8)6-3-1-2-4-6/h6H,1-5H2.
What are the key properties of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one?
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one has a molecular weight of 248.20 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 55202188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).