1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one

C14H19F3N2O2 — CID 65402209

IUPAC1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC(C)C1CCC(c2noc(CC(=O)C(F)(F)F)n2)CC1
InChIInChI=1S/C14H19F3N2O2/c1-8(2)9-3-5-10(6-4-9)13-18-12(21-19-13)7-11(20)14(15,16)17/h8-10H,3-7H2,1-2H3
InChIKeyOZDYVYAPSMYVRJ-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.67
Rot. Bonds4

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

1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one (PubChem CID 65402209) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
PubChem CID65402209
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC(C)C1CCC(c2noc(CC(=O)C(F)(F)F)n2)CC1
InChIInChI=1S/C14H19F3N2O2/c1-8(2)9-3-5-10(6-4-9)13-18-12(21-19-13)7-11(20)14(15,16)17/h8-10H,3-7H2,1-2H3
InChIKeyOZDYVYAPSMYVRJ-UHFFFAOYSA-N
XLogP3.67
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one (CID 65402209) is 1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one is CC(C)C1CCC(c2noc(CC(=O)C(F)(F)F)n2)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The InChIKey is OZDYVYAPSMYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-8(2)9-3-5-10(6-4-9)13-18-12(21-19-13)7-11(20)14(15,16)17/h8-10H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one has a molecular weight of 304.31 g/mol, XLogP of 3.67, 4 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-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one is sourced from PubChem (CID 65402209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).