2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde

C11H9ClN2O3 — CID 54919221

IUPAC2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
SMILESCc1nnc(COc2cccc(Cl)c2C=O)o1
InChIInChI=1S/C11H9ClN2O3/c1-7-13-14-11(17-7)6-16-10-4-2-3-9(12)8(10)5-15/h2-5H,6H2,1H3
InChIKeyGWIOZKBUWFGOAD-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.42
Rot. Bonds4

About 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde

2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde (PubChem CID 54919221) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
PubChem CID54919221
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
SMILESCc1nnc(COc2cccc(Cl)c2C=O)o1
InChIInChI=1S/C11H9ClN2O3/c1-7-13-14-11(17-7)6-16-10-4-2-3-9(12)8(10)5-15/h2-5H,6H2,1H3
InChIKeyGWIOZKBUWFGOAD-UHFFFAOYSA-N
XLogP2.42
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde?
The IUPAC name of 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde (CID 54919221) is 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde is Cc1nnc(COc2cccc(Cl)c2C=O)o1.
What is the InChIKey of 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde?
The InChIKey is GWIOZKBUWFGOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-7-13-14-11(17-7)6-16-10-4-2-3-9(12)8(10)5-15/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde?
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde has a molecular weight of 252.66 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 54919221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).