2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole

C6H7F2N3O — CID 169273849

IUPAC2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(C2CNC2)o1
InChIInChI=1S/C6H7F2N3O/c7-4(8)6-11-10-5(12-6)3-1-9-2-3/h3-4,9H,1-2H2
InChIKeyYBBOAKRVNCHALO-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.69
Rot. Bonds2

About 2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole

2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 169273849) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID169273849
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(C2CNC2)o1
InChIInChI=1S/C6H7F2N3O/c7-4(8)6-11-10-5(12-6)3-1-9-2-3/h3-4,9H,1-2H2
InChIKeyYBBOAKRVNCHALO-UHFFFAOYSA-N
XLogP0.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole (CID 169273849) is 2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(C2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is YBBOAKRVNCHALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-4(8)6-11-10-5(12-6)3-1-9-2-3/h3-4,9H,1-2H2.
What are the key properties of 2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole?
2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 175.14 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 169273849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).