1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one

C12H15F3N2O2 — CID 65414462

IUPAC1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one
SMILESCC1CCC(c2noc(C(C)C(=O)C(F)(F)F)n2)C1
InChIInChI=1S/C12H15F3N2O2/c1-6-3-4-8(5-6)10-16-11(19-17-10)7(2)9(18)12(13,14)15/h6-8H,3-5H2,1-2H3
InChIKeyYQGWOQDFNADASY-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.21
Rot. Bonds3

About 1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one

1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one (PubChem CID 65414462) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one
PubChem CID65414462
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one
SMILESCC1CCC(c2noc(C(C)C(=O)C(F)(F)F)n2)C1
InChIInChI=1S/C12H15F3N2O2/c1-6-3-4-8(5-6)10-16-11(19-17-10)7(2)9(18)12(13,14)15/h6-8H,3-5H2,1-2H3
InChIKeyYQGWOQDFNADASY-UHFFFAOYSA-N
XLogP3.21
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one with MolForge

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Related Compounds

3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-one
CID 65351602
(1S,2R)-1-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965498
1,1,1-trifluoro-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 79970557
2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561054
4-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345426
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837020
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65402444
3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65400431
3-methyl-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65412841
2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65412634
2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63560469

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one (CID 65414462) is 1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one is CC1CCC(c2noc(C(C)C(=O)C(F)(F)F)n2)C1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one?
The InChIKey is YQGWOQDFNADASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-6-3-4-8(5-6)10-16-11(19-17-10)7(2)9(18)12(13,14)15/h6-8H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one?
1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one has a molecular weight of 276.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one is sourced from PubChem (CID 65414462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).