[3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium

C10H11Cl2N2O3+ — CID 144841807

IUPAC[3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium
SMILESCO[NH2+]c1cc(Cl)c(N2CCOC2=O)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2O3/c1-16-13-6-4-7(11)9(8(12)5-6)14-2-3-17-10(14)15/h4-5,13H,2-3H2,1H3/p+1
InChIKeyDWBDZLJBZDZMBC-UHFFFAOYSA-O
MW278.11 g/mol
LogP1.71
Rot. Bonds3

About [3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium

[3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium (PubChem CID 144841807) has the molecular formula C10H11Cl2N2O3+ and a molecular weight of 278.11 g/mol. Its IUPAC name is [3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium.

Molecular Properties

Compound Name[3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium
PubChem CID144841807
Molecular FormulaC10H11Cl2N2O3+
Molecular Weight278.11 g/mol
Exact Mass277.01
IUPAC Name[3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium
SMILESCO[NH2+]c1cc(Cl)c(N2CCOC2=O)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2O3/c1-16-13-6-4-7(11)9(8(12)5-6)14-2-3-17-10(14)15/h4-5,13H,2-3H2,1H3/p+1
InChIKeyDWBDZLJBZDZMBC-UHFFFAOYSA-O
XLogP1.71
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one
CID 14120198
3-[4-methoxy-2,3-dimethyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 86084940
3-(3-chloro-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 58394005
3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one
CID 107612952
3-(2-chloro-6-methylpyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 130285167
3-(2,6-diethylphenyl)-1,3-oxazolidin-2-one
CID 14120196
3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one
CID 58845375
3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one
CID 67941637
3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 86730264
3-[2-(2,6-dichloro-4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133484561
3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 139686883
3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 66833737

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium?
The IUPAC name of [3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium (CID 144841807) is [3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium.
What is the SMILES notation for [3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium?
The canonical SMILES for [3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium is CO[NH2+]c1cc(Cl)c(N2CCOC2=O)c(Cl)c1.
What is the InChIKey of [3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium?
The InChIKey is DWBDZLJBZDZMBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10Cl2N2O3/c1-16-13-6-4-7(11)9(8(12)5-6)14-2-3-17-10(14)15/h4-5,13H,2-3H2,1H3/p+1.
What are the key properties of [3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium?
[3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium has a molecular weight of 278.11 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium is sourced from PubChem (CID 144841807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).