2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole

C9H10F3N3O — CID 166083948

IUPAC2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole
SMILESFC(F)(F)C1(c2nnc(C3CNC3)o2)CC1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)8(1-2-8)7-15-14-6(16-7)5-3-13-4-5/h5,13H,1-4H2
InChIKeyAHTTWQSYGZRCGU-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.35
Rot. Bonds2

About 2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole

2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole (PubChem CID 166083948) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole
PubChem CID166083948
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole
SMILESFC(F)(F)C1(c2nnc(C3CNC3)o2)CC1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)8(1-2-8)7-15-14-6(16-7)5-3-13-4-5/h5,13H,1-4H2
InChIKeyAHTTWQSYGZRCGU-UHFFFAOYSA-N
XLogP1.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.35
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-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole (CID 166083948) is 2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole is FC(F)(F)C1(c2nnc(C3CNC3)o2)CC1.
What is the InChIKey of 2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole?
The InChIKey is AHTTWQSYGZRCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)8(1-2-8)7-15-14-6(16-7)5-3-13-4-5/h5,13H,1-4H2.
What are the key properties of 2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole?
2-(azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole has a molecular weight of 233.19 g/mol, XLogP of 1.35, 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-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole is sourced from PubChem (CID 166083948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).