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

C5H8BrNO — CID 105437258

IUPAC3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(Br)=NO1
InChIInChI=1S/C5H8BrNO/c1-2-4-3-5(6)7-8-4/h4H,2-3H2,1H3
InChIKeyDEWCGIVPTFMLPB-UHFFFAOYSA-N
MW178.03 g/mol
LogP1.89
Rot. Bonds1

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

3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole (PubChem CID 105437258) has the molecular formula C5H8BrNO and a molecular weight of 178.03 g/mol. Its IUPAC name is 3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole
PubChem CID105437258
Molecular FormulaC5H8BrNO
Molecular Weight178.03 g/mol
Exact Mass176.98
IUPAC Name3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(Br)=NO1
InChIInChI=1S/C5H8BrNO/c1-2-4-3-5(6)7-8-4/h4H,2-3H2,1H3
InChIKeyDEWCGIVPTFMLPB-UHFFFAOYSA-N
XLogP1.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.03
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole (CID 105437258) is 3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole is CCC1CC(Br)=NO1.
What is the InChIKey of 3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is DEWCGIVPTFMLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrNO/c1-2-4-3-5(6)7-8-4/h4H,2-3H2,1H3.
What are the key properties of 3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole?
3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 178.03 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 105437258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).