5-(azetidin-3-yl)-3-bromo-1,2-oxazole

C6H7BrN2O — CID 167720957

IUPAC5-(azetidin-3-yl)-3-bromo-1,2-oxazole
SMILESBrc1cc(C2CNC2)on1
InChIInChI=1S/C6H7BrN2O/c7-6-1-5(10-9-6)4-2-8-3-4/h1,4,8H,2-3H2
InChIKeyWTHCPEDRKGRFKJ-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.12
Rot. Bonds1

About 5-(azetidin-3-yl)-3-bromo-1,2-oxazole

5-(azetidin-3-yl)-3-bromo-1,2-oxazole (PubChem CID 167720957) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-bromo-1,2-oxazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-bromo-1,2-oxazole
PubChem CID167720957
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name5-(azetidin-3-yl)-3-bromo-1,2-oxazole
SMILESBrc1cc(C2CNC2)on1
InChIInChI=1S/C6H7BrN2O/c7-6-1-5(10-9-6)4-2-8-3-4/h1,4,8H,2-3H2
InChIKeyWTHCPEDRKGRFKJ-UHFFFAOYSA-N
XLogP1.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[(2R,5R)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole
CID 15169747
5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole
CID 83849509
5-(azetidin-3-yl)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386630
3-phenyl-5-piperidin-4-yl-1,2-oxazole
CID 59732015
5-(azetidin-3-yl)-3-(4-bromothiophen-2-yl)-1,2,4-oxadiazole
CID 79316729
5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395414
3-bromo-5-tert-butyl-1,2-oxazole
CID 59146011
3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 170765884
(3-bromo-1,2-oxazol-5-yl)-trimethylsilane
CID 86767313
5-(azetidin-3-yl)-2-cyclopentyl-1,3-oxazole
CID 105446346
5-bromo-3-piperidin-4-yl-1,2-oxazole
CID 84726349
3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 84681088

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-bromo-1,2-oxazole?
The IUPAC name of 5-(azetidin-3-yl)-3-bromo-1,2-oxazole (CID 167720957) is 5-(azetidin-3-yl)-3-bromo-1,2-oxazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-bromo-1,2-oxazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-bromo-1,2-oxazole is Brc1cc(C2CNC2)on1.
What is the InChIKey of 5-(azetidin-3-yl)-3-bromo-1,2-oxazole?
The InChIKey is WTHCPEDRKGRFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c7-6-1-5(10-9-6)4-2-8-3-4/h1,4,8H,2-3H2.
What are the key properties of 5-(azetidin-3-yl)-3-bromo-1,2-oxazole?
5-(azetidin-3-yl)-3-bromo-1,2-oxazole has a molecular weight of 203.04 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-bromo-1,2-oxazole is sourced from PubChem (CID 167720957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).