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

C9H15N3O — CID 84658083

IUPAC2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(C2CNC2)o1
InChIInChI=1S/C9H15N3O/c1-6(2)3-8-11-12-9(13-8)7-4-10-5-7/h6-7,10H,3-5H2,1-2H3
InChIKeyULSZYOHGIMGBTF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds3

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

2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole (PubChem CID 84658083) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole
PubChem CID84658083
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(C2CNC2)o1
InChIInChI=1S/C9H15N3O/c1-6(2)3-8-11-12-9(13-8)7-4-10-5-7/h6-7,10H,3-5H2,1-2H3
InChIKeyULSZYOHGIMGBTF-UHFFFAOYSA-N
XLogP0.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.95
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-(2-methylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole (CID 84658083) is 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole is CC(C)Cc1nnc(C2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
The InChIKey is ULSZYOHGIMGBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)3-8-11-12-9(13-8)7-4-10-5-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 0.95, 3 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-(2-methylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 84658083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).