3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole

C7H10BrNO — CID 105455889

IUPAC3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole
SMILESBrC1=NOC(C2CCC2)C1
InChIInChI=1S/C7H10BrNO/c8-7-4-6(10-9-7)5-2-1-3-5/h5-6H,1-4H2
InChIKeyPJOUZHGKGUAEFH-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.28
Rot. Bonds1

About 3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole

3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole (PubChem CID 105455889) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole
PubChem CID105455889
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole
SMILESBrC1=NOC(C2CCC2)C1
InChIInChI=1S/C7H10BrNO/c8-7-4-6(10-9-7)5-2-1-3-5/h5-6H,1-4H2
InChIKeyPJOUZHGKGUAEFH-UHFFFAOYSA-N
XLogP2.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
CID 105458315

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole (CID 105455889) is 3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole is BrC1=NOC(C2CCC2)C1.
What is the InChIKey of 3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole?
The InChIKey is PJOUZHGKGUAEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c8-7-4-6(10-9-7)5-2-1-3-5/h5-6H,1-4H2.
What are the key properties of 3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole?
3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole has a molecular weight of 204.07 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyclobutyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 105455889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).