5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol

C11H15F3N2O2 — CID 167077779

IUPAC5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol
SMILESOCCCCCc1noc(C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)10(5-6-10)9-15-8(16-18-9)4-2-1-3-7-17/h17H,1-7H2
InChIKeyMZYMTXGDCIYXJR-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.37
Rot. Bonds6

About 5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol

5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol (PubChem CID 167077779) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol
PubChem CID167077779
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol
SMILESOCCCCCc1noc(C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)10(5-6-10)9-15-8(16-18-9)4-2-1-3-7-17/h17H,1-7H2
InChIKeyMZYMTXGDCIYXJR-UHFFFAOYSA-N
XLogP2.37
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol?
The IUPAC name of 5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol (CID 167077779) is 5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol.
What is the SMILES notation for 5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol?
The canonical SMILES for 5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol is OCCCCCc1noc(C2(C(F)(F)F)CC2)n1.
What is the InChIKey of 5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol?
The InChIKey is MZYMTXGDCIYXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)10(5-6-10)9-15-8(16-18-9)4-2-1-3-7-17/h17H,1-7H2.
What are the key properties of 5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol?
5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol has a molecular weight of 264.25 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentan-1-ol is sourced from PubChem (CID 167077779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).