2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole

C7H11N3O — CID 77231096

IUPAC2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CC2CNC2)o1
InChIInChI=1S/C7H11N3O/c1-5-9-10-7(11-5)2-6-3-8-4-6/h6,8H,2-4H2,1H3
InChIKeyMZWLHTRLPCEEFD-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.14
Rot. Bonds2

About 2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole

2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 77231096) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole
PubChem CID77231096
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CC2CNC2)o1
InChIInChI=1S/C7H11N3O/c1-5-9-10-7(11-5)2-6-3-8-4-6/h6,8H,2-4H2,1H3
InChIKeyMZWLHTRLPCEEFD-UHFFFAOYSA-N
XLogP0.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole (CID 77231096) is 2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(CC2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is MZWLHTRLPCEEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-9-10-7(11-5)2-6-3-8-4-6/h6,8H,2-4H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole?
2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 153.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 77231096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).