2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole

C10H14F3N3O2 — CID 155714287

IUPAC2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole
SMILESFC(F)(F)CCOc1nnc(C2CCCCN2)o1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)4-6-17-9-16-15-8(18-9)7-3-1-2-5-14-7/h7,14H,1-6H2
InChIKeyQROWLDUVDWBQEP-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.22
Rot. Bonds4

About 2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole

2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole (PubChem CID 155714287) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole
PubChem CID155714287
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole
SMILESFC(F)(F)CCOc1nnc(C2CCCCN2)o1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)4-6-17-9-16-15-8(18-9)7-3-1-2-5-14-7/h7,14H,1-6H2
InChIKeyQROWLDUVDWBQEP-UHFFFAOYSA-N
XLogP2.22
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole?
The IUPAC name of 2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole (CID 155714287) is 2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole.
What is the SMILES notation for 2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole?
The canonical SMILES for 2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole is FC(F)(F)CCOc1nnc(C2CCCCN2)o1.
What is the InChIKey of 2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole?
The InChIKey is QROWLDUVDWBQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)4-6-17-9-16-15-8(18-9)7-3-1-2-5-14-7/h7,14H,1-6H2.
What are the key properties of 2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole?
2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole has a molecular weight of 265.23 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole is sourced from PubChem (CID 155714287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).