5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole

C8H8BrNO2 — CID 102568559

IUPAC5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole
SMILESBrCC1CC(c2ccco2)=NO1
InChIInChI=1S/C8H8BrNO2/c9-5-6-4-7(10-12-6)8-2-1-3-11-8/h1-3,6H,4-5H2
InChIKeyGFDWRKPBIBEMPU-UHFFFAOYSA-N
MW230.06 g/mol
LogP2.17
Rot. Bonds2

About 5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole

5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 102568559) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole
PubChem CID102568559
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole
SMILESBrCC1CC(c2ccco2)=NO1
InChIInChI=1S/C8H8BrNO2/c9-5-6-4-7(10-12-6)8-2-1-3-11-8/h1-3,6H,4-5H2
InChIKeyGFDWRKPBIBEMPU-UHFFFAOYSA-N
XLogP2.17
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
(5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 99994023
5-(bromomethyl)-3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole
CID 102568558
ethane;2-(furan-2-yl)furan
CID 161366084
3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
CID 23542518
5-(nitromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 12606163
1-(furan-2-ylmethyl)-3-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]thiourea
CID 2815772
1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 124721358
1-(furan-2-ylmethyl)-3-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiourea
CID 2978505
(1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene
CID 101124838
5-(fluoromethyl)-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole
CID 138964472
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole (CID 102568559) is 5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole is BrCC1CC(c2ccco2)=NO1.
What is the InChIKey of 5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is GFDWRKPBIBEMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-5-6-4-7(10-12-6)8-2-1-3-11-8/h1-3,6H,4-5H2.
What are the key properties of 5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole?
5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 230.06 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(furan-2-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102568559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).