2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole

C7H11N3O — CID 125449104

IUPAC2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole
SMILESCc1nnc(C2(C)CNC2)o1
InChIInChI=1S/C7H11N3O/c1-5-9-10-6(11-5)7(2)3-8-4-7/h8H,3-4H2,1-2H3
InChIKeyQESTYZWDOKWBIL-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.24
Rot. Bonds1

About 2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole

2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole (PubChem CID 125449104) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole
PubChem CID125449104
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole
SMILESCc1nnc(C2(C)CNC2)o1
InChIInChI=1S/C7H11N3O/c1-5-9-10-6(11-5)7(2)3-8-4-7/h8H,3-4H2,1-2H3
InChIKeyQESTYZWDOKWBIL-UHFFFAOYSA-N
XLogP0.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 58689305
2-(Azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 105446626
2-(Azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169273849
2-(5-Tert-butyl-1,3,4-oxadiazol-2-YL)ethanamine
CID 24254487
2-(Azetidin-3-yl)-5-methyl-1,3,4-oxadiazole
CID 55299581
2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162545
2-(Azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 84649788
2-(Azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole
CID 84658084
2-(Azetidin-3-yl)-5-iodo-1,3,4-oxadiazole
CID 118983470
2-Methyl-5-(1-methylazetidin-3-yl)-1,3,4-oxadiazole
CID 135280712
2-(Azetidin-3-yl)-5-methyl-1,3,4-oxadiazole;ethane
CID 144417709
2-(3-Methylazetidin-3-yl)-1,3,4-oxadiazole
CID 166546980

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole (CID 125449104) is 2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole is Cc1nnc(C2(C)CNC2)o1.
What is the InChIKey of 2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole?
The InChIKey is QESTYZWDOKWBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-9-10-6(11-5)7(2)3-8-4-7/h8H,3-4H2,1-2H3.
What are the key properties of 2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole?
2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole has a molecular weight of 153.19 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 125449104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).