1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol

C11H15F3N2O3 — CID 103150962

IUPAC1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESOC(Cc1nc(CCOCC(F)(F)F)no1)C1CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)6-18-4-3-9-15-10(19-16-9)5-8(17)7-1-2-7/h7-8,17H,1-6H2
InChIKeyAUTBQLDAGCSGJN-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.50
Rot. Bonds7

About 1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol

1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 103150962) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID103150962
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESOC(Cc1nc(CCOCC(F)(F)F)no1)C1CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)6-18-4-3-9-15-10(19-16-9)5-8(17)7-1-2-7/h7-8,17H,1-6H2
InChIKeyAUTBQLDAGCSGJN-UHFFFAOYSA-N
XLogP1.50
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106815685
3,3-dimethyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103150964
3-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103145958
N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 103145886
1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115347281
N-methyl-3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103145917
2-methyl-N-[2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 103145894
2-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 103146461
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol
CID 63345351
1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 113390662
1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 106815738
4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 103150917

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 103150962) is 1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol is OC(Cc1nc(CCOCC(F)(F)F)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is AUTBQLDAGCSGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)6-18-4-3-9-15-10(19-16-9)5-8(17)7-1-2-7/h7-8,17H,1-6H2.
What are the key properties of 1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 280.25 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 103150962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).