5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one

C9H10BrNO3 — CID 82380170

IUPAC5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1Cc1ccco1
InChIInChI=1S/C9H10BrNO3/c10-4-8-6-11(9(12)14-8)5-7-2-1-3-13-7/h1-3,8H,4-6H2
InChIKeyIBYLATOSYAXOGQ-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.00
Rot. Bonds3

About 5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one

5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 82380170) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID82380170
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1Cc1ccco1
InChIInChI=1S/C9H10BrNO3/c10-4-8-6-11(9(12)14-8)5-7-2-1-3-13-7/h1-3,8H,4-6H2
InChIKeyIBYLATOSYAXOGQ-UHFFFAOYSA-N
XLogP2.00
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.00
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

3-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-6-yl]propanoic acid
CID 117011105
1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one
CID 83698973
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682162
1-(furan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
CID 82383025
4-(furan-2-ylmethyl)-1,4-diazocan-5-one
CID 117015329
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane
CID 175739385

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one (CID 82380170) is 5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC(CBr)CN1Cc1ccco1.
What is the InChIKey of 5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is IBYLATOSYAXOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c10-4-8-6-11(9(12)14-8)5-7-2-1-3-13-7/h1-3,8H,4-6H2.
What are the key properties of 5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one?
5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 260.09 g/mol, XLogP of 2.00, 3 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-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82380170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).