5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole

C12H15N5O2 — CID 102655585

IUPAC5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2noc(COC3(C)CNC3)n2)nc1
InChIInChI=1S/C12H15N5O2/c1-8-3-14-10(15-4-8)11-16-9(19-17-11)5-18-12(2)6-13-7-12/h3-4,13H,5-7H2,1-2H3
InChIKeyYZWBFGFFUFHTDF-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.71
Rot. Bonds4

About 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole

5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole (PubChem CID 102655585) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole
PubChem CID102655585
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2noc(COC3(C)CNC3)n2)nc1
InChIInChI=1S/C12H15N5O2/c1-8-3-14-10(15-4-8)11-16-9(19-17-11)5-18-12(2)6-13-7-12/h3-4,13H,5-7H2,1-2H3
InChIKeyYZWBFGFFUFHTDF-UHFFFAOYSA-N
XLogP0.71
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(3,5-dimethyl-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655604
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 102655457
3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 107917772
3-(2-chlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655428
3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655610
3-(5-fluoro-2-methylphenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655430
3-(2-methoxyphenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655382
3-(3-bromophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655372
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 102655553
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2-nitrophenyl)-1,2,4-oxadiazole
CID 102655424
3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655530
3-(ethylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655473

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole (CID 102655585) is 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole is Cc1cnc(-c2noc(COC3(C)CNC3)n2)nc1.
What is the InChIKey of 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is YZWBFGFFUFHTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-3-14-10(15-4-8)11-16-9(19-17-11)5-18-12(2)6-13-7-12/h3-4,13H,5-7H2,1-2H3.
What are the key properties of 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole?
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 261.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 102655585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).