3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde

C9H4Cl2N2O2 — CID 81492192

IUPAC3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
SMILESO=Cc1nc(-c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C9H4Cl2N2O2/c10-6-2-1-5(3-7(6)11)9-12-8(4-14)15-13-9/h1-4H
InChIKeyOHRSHYHXGFNWIF-UHFFFAOYSA-N
MW243.05 g/mol
LogP2.86
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde

3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde (PubChem CID 81492192) has the molecular formula C9H4Cl2N2O2 and a molecular weight of 243.05 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
PubChem CID81492192
Molecular FormulaC9H4Cl2N2O2
Molecular Weight243.05 g/mol
Exact Mass241.96
IUPAC Name3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
SMILESO=Cc1nc(-c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C9H4Cl2N2O2/c10-6-2-1-5(3-7(6)11)9-12-8(4-14)15-13-9/h1-4H
InChIKeyOHRSHYHXGFNWIF-UHFFFAOYSA-N
XLogP2.86
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole
CID 81491984
4-(5-formyl-1,2,4-oxadiazol-3-yl)benzonitrile
CID 55263181
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 83395279
3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole
CID 115565464
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 57360994
4-[[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-ethoxybenzaldehyde
CID 30029315
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 81491734
N-[[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
CID 81492751
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904204
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 81494253
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 81492497

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde?
The IUPAC name of 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde (CID 81492192) is 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde is O=Cc1nc(-c2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde?
The InChIKey is OHRSHYHXGFNWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2O2/c10-6-2-1-5(3-7(6)11)9-12-8(4-14)15-13-9/h1-4H.
What are the key properties of 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde?
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde has a molecular weight of 243.05 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde is sourced from PubChem (CID 81492192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).