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

C10H10BrNO2 — CID 135045167

IUPAC(4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESC=C[C@@H]1N=C(c2ccco2)O[C@@H]1CBr
InChIInChI=1S/C10H10BrNO2/c1-2-7-9(6-11)14-10(12-7)8-4-3-5-13-8/h2-5,7,9H,1,6H2/t7-,9+/m0/s1
InChIKeyGARYYISXNRFWCK-IONNQARKSA-N
MW256.10 g/mol
LogP2.37
Rot. Bonds3

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

(4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 135045167) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID135045167
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESC=C[C@@H]1N=C(c2ccco2)O[C@@H]1CBr
InChIInChI=1S/C10H10BrNO2/c1-2-7-9(6-11)14-10(12-7)8-4-3-5-13-8/h2-5,7,9H,1,6H2/t7-,9+/m0/s1
InChIKeyGARYYISXNRFWCK-IONNQARKSA-N
XLogP2.37
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole (CID 135045167) is (4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole is C=C[C@@H]1N=C(c2ccco2)O[C@@H]1CBr.
What is the InChIKey of (4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is GARYYISXNRFWCK-IONNQARKSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-2-7-9(6-11)14-10(12-7)8-4-3-5-13-8/h2-5,7,9H,1,6H2/t7-,9+/m0/s1.
What are the key properties of (4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole?
(4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 256.10 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(bromomethyl)-4-ethenyl-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135045167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).