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

C12H13BrN4O2 — CID 102655610

IUPAC3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCC1(OCc2nc(-c3ncccc3Br)no2)CNC1
InChIInChI=1S/C12H13BrN4O2/c1-12(6-14-7-12)18-5-9-16-11(17-19-9)10-8(13)3-2-4-15-10/h2-4,14H,5-7H2,1H3
InChIKeyHUTXCPJEFNFLFO-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.77
Rot. Bonds4

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

3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 102655610) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID102655610
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCC1(OCc2nc(-c3ncccc3Br)no2)CNC1
InChIInChI=1S/C12H13BrN4O2/c1-12(6-14-7-12)18-5-9-16-11(17-19-9)10-8(13)3-2-4-15-10/h2-4,14H,5-7H2,1H3
InChIKeyHUTXCPJEFNFLFO-UHFFFAOYSA-N
XLogP1.77
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655372
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 102655457
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-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole
CID 102655585
3-(2-chlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655428
3-(2-methoxyphenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655382
3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole
CID 167877135
3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 107917772
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2-nitrophenyl)-1,2,4-oxadiazole
CID 102655424
3-(5-fluoro-2-methylphenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655430
3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655400
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 102655553

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (CID 102655610) is 3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is CC1(OCc2nc(-c3ncccc3Br)no2)CNC1.
What is the InChIKey of 3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is HUTXCPJEFNFLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-12(6-14-7-12)18-5-9-16-11(17-19-9)10-8(13)3-2-4-15-10/h2-4,14H,5-7H2,1H3.
What are the key properties of 3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 325.17 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 102655610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).