3-bromo-5,5-diethyl-4H-1,2-oxazole

C7H12BrNO — CID 142613956

IUPAC3-bromo-5,5-diethyl-4H-1,2-oxazole
SMILESCCC1(CC)CC(Br)=NO1
InChIInChI=1S/C7H12BrNO/c1-3-7(4-2)5-6(8)9-10-7/h3-5H2,1-2H3
InChIKeyRIWJORFVOQRFPX-UHFFFAOYSA-N
MW206.08 g/mol
LogP2.67
Rot. Bonds2

About 3-bromo-5,5-diethyl-4H-1,2-oxazole

3-bromo-5,5-diethyl-4H-1,2-oxazole (PubChem CID 142613956) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is 3-bromo-5,5-diethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5,5-diethyl-4H-1,2-oxazole
PubChem CID142613956
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC Name3-bromo-5,5-diethyl-4H-1,2-oxazole
SMILESCCC1(CC)CC(Br)=NO1
InChIInChI=1S/C7H12BrNO/c1-3-7(4-2)5-6(8)9-10-7/h3-5H2,1-2H3
InChIKeyRIWJORFVOQRFPX-UHFFFAOYSA-N
XLogP2.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,5-diethyl-4H-1,2-oxazole?
The IUPAC name of 3-bromo-5,5-diethyl-4H-1,2-oxazole (CID 142613956) is 3-bromo-5,5-diethyl-4H-1,2-oxazole.
What is the SMILES notation for 3-bromo-5,5-diethyl-4H-1,2-oxazole?
The canonical SMILES for 3-bromo-5,5-diethyl-4H-1,2-oxazole is CCC1(CC)CC(Br)=NO1.
What is the InChIKey of 3-bromo-5,5-diethyl-4H-1,2-oxazole?
The InChIKey is RIWJORFVOQRFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c1-3-7(4-2)5-6(8)9-10-7/h3-5H2,1-2H3.
What are the key properties of 3-bromo-5,5-diethyl-4H-1,2-oxazole?
3-bromo-5,5-diethyl-4H-1,2-oxazole has a molecular weight of 206.08 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,5-diethyl-4H-1,2-oxazole is sourced from PubChem (CID 142613956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).