2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde

C10H10ClNO2 — CID 174443638

IUPAC2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1(c2cccc(Cl)c2)NCCO1
InChIInChI=1S/C10H10ClNO2/c11-9-3-1-2-8(6-9)10(7-13)12-4-5-14-10/h1-3,6-7,12H,4-5H2
InChIKeyQRHXQBOFEYKUGN-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.31
Rot. Bonds2

About 2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde

2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174443638) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde
PubChem CID174443638
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1(c2cccc(Cl)c2)NCCO1
InChIInChI=1S/C10H10ClNO2/c11-9-3-1-2-8(6-9)10(7-13)12-4-5-14-10/h1-3,6-7,12H,4-5H2
InChIKeyQRHXQBOFEYKUGN-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde (CID 174443638) is 2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde is O=CC1(c2cccc(Cl)c2)NCCO1.
What is the InChIKey of 2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is QRHXQBOFEYKUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-9-3-1-2-8(6-9)10(7-13)12-4-5-14-10/h1-3,6-7,12H,4-5H2.
What are the key properties of 2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde?
2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 211.65 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174443638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).