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

C9H15N3O — CID 84658084

IUPAC2-(azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(C2CNC2)o1
InChIInChI=1S/C9H15N3O/c1-9(2,3)8-12-11-7(13-8)6-4-10-5-6/h6,10H,4-5H2,1-3H3
InChIKeyGMOCWGJWBSXNAQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.05
Rot. Bonds1

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

2-(azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole (PubChem CID 84658084) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole
PubChem CID84658084
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(C2CNC2)o1
InChIInChI=1S/C9H15N3O/c1-9(2,3)8-12-11-7(13-8)6-4-10-5-6/h6,10H,4-5H2,1-3H3
InChIKeyGMOCWGJWBSXNAQ-UHFFFAOYSA-N
XLogP1.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.05
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-tert-butyl-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole (CID 84658084) is 2-(azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole is CC(C)(C)c1nnc(C2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole?
The InChIKey is GMOCWGJWBSXNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)8-12-11-7(13-8)6-4-10-5-6/h6,10H,4-5H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole?
2-(azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 1.05, 1 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-tert-butyl-1,3,4-oxadiazole is sourced from PubChem (CID 84658084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).