4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one

C8H9F2N3O2 — CID 167844920

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one
SMILESO=C1CC(c2nnc(C(F)F)o2)CCN1
InChIInChI=1S/C8H9F2N3O2/c9-6(10)8-13-12-7(15-8)4-1-2-11-5(14)3-4/h4,6H,1-3H2,(H,11,14)
InChIKeyMUHQZKCSCQTAGA-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.00
Rot. Bonds2

About 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one (PubChem CID 167844920) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.17 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one
PubChem CID167844920
Molecular FormulaC8H9F2N3O2
Molecular Weight217.17 g/mol
Exact Mass217.07
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one
SMILESO=C1CC(c2nnc(C(F)F)o2)CCN1
InChIInChI=1S/C8H9F2N3O2/c9-6(10)8-13-12-7(15-8)4-1-2-11-5(14)3-4/h4,6H,1-3H2,(H,11,14)
InChIKeyMUHQZKCSCQTAGA-UHFFFAOYSA-N
XLogP1.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one (CID 167844920) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one is O=C1CC(c2nnc(C(F)F)o2)CCN1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one?
The InChIKey is MUHQZKCSCQTAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c9-6(10)8-13-12-7(15-8)4-1-2-11-5(14)3-4/h4,6H,1-3H2,(H,11,14).
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one has a molecular weight of 217.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one is sourced from PubChem (CID 167844920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).