2-chloro-6-(1,2-oxazolidin-2-yl)aniline

C9H11ClN2O — CID 104834830

IUPAC2-chloro-6-(1,2-oxazolidin-2-yl)aniline
SMILESNc1c(Cl)cccc1N1CCCO1
InChIInChI=1S/C9H11ClN2O/c10-7-3-1-4-8(9(7)11)12-5-2-6-13-12/h1,3-4H,2,5-6,11H2
InChIKeyRZVGRHVJSYNXKK-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.06
Rot. Bonds1

About 2-chloro-6-(1,2-oxazolidin-2-yl)aniline

2-chloro-6-(1,2-oxazolidin-2-yl)aniline (PubChem CID 104834830) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-6-(1,2-oxazolidin-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(1,2-oxazolidin-2-yl)aniline
PubChem CID104834830
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-chloro-6-(1,2-oxazolidin-2-yl)aniline
SMILESNc1c(Cl)cccc1N1CCCO1
InChIInChI=1S/C9H11ClN2O/c10-7-3-1-4-8(9(7)11)12-5-2-6-13-12/h1,3-4H,2,5-6,11H2
InChIKeyRZVGRHVJSYNXKK-UHFFFAOYSA-N
XLogP2.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1,2-oxazolidin-2-yl)aniline?
The IUPAC name of 2-chloro-6-(1,2-oxazolidin-2-yl)aniline (CID 104834830) is 2-chloro-6-(1,2-oxazolidin-2-yl)aniline.
What is the SMILES notation for 2-chloro-6-(1,2-oxazolidin-2-yl)aniline?
The canonical SMILES for 2-chloro-6-(1,2-oxazolidin-2-yl)aniline is Nc1c(Cl)cccc1N1CCCO1.
What is the InChIKey of 2-chloro-6-(1,2-oxazolidin-2-yl)aniline?
The InChIKey is RZVGRHVJSYNXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-7-3-1-4-8(9(7)11)12-5-2-6-13-12/h1,3-4H,2,5-6,11H2.
What are the key properties of 2-chloro-6-(1,2-oxazolidin-2-yl)aniline?
2-chloro-6-(1,2-oxazolidin-2-yl)aniline has a molecular weight of 198.65 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1,2-oxazolidin-2-yl)aniline is sourced from PubChem (CID 104834830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).