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

C10H8Cl3NO2 — CID 51893633

IUPAC(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CCl)CN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl3NO2/c11-4-7-5-14(10(15)16-7)6-1-2-8(12)9(13)3-6/h1-3,7H,4-5H2/t7-/m1/s1
InChIKeyJYRRABPMIWWXDA-SSDOTTSWSA-N
MW280.54 g/mol
LogP3.56
Rot. Bonds2

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

(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one (PubChem CID 51893633) has the molecular formula C10H8Cl3NO2 and a molecular weight of 280.54 g/mol. Its IUPAC name is (5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
PubChem CID51893633
Molecular FormulaC10H8Cl3NO2
Molecular Weight280.54 g/mol
Exact Mass278.96
IUPAC Name(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CCl)CN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl3NO2/c11-4-7-5-14(10(15)16-7)6-1-2-8(12)9(13)3-6/h1-3,7H,4-5H2/t7-/m1/s1
InChIKeyJYRRABPMIWWXDA-SSDOTTSWSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.54
LogP ≤ 53.56
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

(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 104673307
5-(chloromethyl)-3-(3,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 107654588
N-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922559
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
(5R)-5-(chloromethyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67131156
(5S)-5-(aminomethyl)-3-(3-chloro-4-isocyanophenyl)-1,3-oxazolidin-2-one
CID 59411206
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 19911452
5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate
CID 121351579
(5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one
CID 67539302
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
CID 19012505

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one (CID 51893633) is (5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one is O=C1O[C@H](CCl)CN1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is JYRRABPMIWWXDA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H8Cl3NO2/c11-4-7-5-14(10(15)16-7)6-1-2-8(12)9(13)3-6/h1-3,7H,4-5H2/t7-/m1/s1.
What are the key properties of (5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 280.54 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 51893633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).