4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane

C7H14BrNO — CID 153380646

IUPAC4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane
SMILESCC.CC1=NOC(C)C1Br
InChIInChI=1S/C5H8BrNO.C2H6/c1-3-5(6)4(2)8-7-3;1-2/h4-5H,1-2H3;1-2H3
InChIKeyRBHXSJGQOQCTSD-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.57
Rot. Bonds

About 4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane

4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane (PubChem CID 153380646) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane
PubChem CID153380646
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC Name4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane
SMILESCC.CC1=NOC(C)C1Br
InChIInChI=1S/C5H8BrNO.C2H6/c1-3-5(6)4(2)8-7-3;1-2/h4-5H,1-2H3;1-2H3
InChIKeyRBHXSJGQOQCTSD-UHFFFAOYSA-N
XLogP2.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane?
The IUPAC name of 4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane (CID 153380646) is 4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane.
What is the SMILES notation for 4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane?
The canonical SMILES for 4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane is CC.CC1=NOC(C)C1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane?
The InChIKey is RBHXSJGQOQCTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrNO.C2H6/c1-3-5(6)4(2)8-7-3;1-2/h4-5H,1-2H3;1-2H3.
What are the key properties of 4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane?
4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane has a molecular weight of 208.10 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane is sourced from PubChem (CID 153380646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).