5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one

C10H8BrCl2NO2 — CID 104673307

IUPAC5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8BrCl2NO2/c11-4-7-5-14(10(15)16-7)6-1-2-8(12)9(13)3-6/h1-3,7H,4-5H2
InChIKeyHVXBQWBCAWLVNB-UHFFFAOYSA-N
MW324.99 g/mol
LogP3.71
Rot. Bonds2

About 5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one

5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one (PubChem CID 104673307) has the molecular formula C10H8BrCl2NO2 and a molecular weight of 324.99 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
PubChem CID104673307
Molecular FormulaC10H8BrCl2NO2
Molecular Weight324.99 g/mol
Exact Mass322.91
IUPAC Name5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8BrCl2NO2/c11-4-7-5-14(10(15)16-7)6-1-2-8(12)9(13)3-6/h1-3,7H,4-5H2
InChIKeyHVXBQWBCAWLVNB-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.99
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 51893633
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
N-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922559
(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 95564147
5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 51000280
4-[4-[5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 72946753
4-[4-[(5R)-5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 89158708
(5S)-5-(aminomethyl)-3-(3-chloro-4-isocyanophenyl)-1,3-oxazolidin-2-one
CID 59411206
5-(chloromethyl)-3-(3,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 107654588
(5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one
CID 67539302
5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 19911452
N-[[3-(3-chloro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 19418145

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one (CID 104673307) is 5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one is O=C1OC(CBr)CN1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is HVXBQWBCAWLVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2NO2/c11-4-7-5-14(10(15)16-7)6-1-2-8(12)9(13)3-6/h1-3,7H,4-5H2.
What are the key properties of 5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 324.99 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 104673307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).