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

C9H5FN2O2 — CID 63773198

IUPAC3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
SMILESO=Cc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C9H5FN2O2/c10-7-3-1-2-6(4-7)9-11-8(5-13)14-12-9/h1-5H
InChIKeyBMSRUUDSPGPAAF-UHFFFAOYSA-N
MW192.15 g/mol
LogP1.69
Rot. Bonds2

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

3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde (PubChem CID 63773198) has the molecular formula C9H5FN2O2 and a molecular weight of 192.15 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
PubChem CID63773198
Molecular FormulaC9H5FN2O2
Molecular Weight192.15 g/mol
Exact Mass192.03
IUPAC Name3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
SMILESO=Cc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C9H5FN2O2/c10-7-3-1-2-6(4-7)9-11-8(5-13)14-12-9/h1-5H
InChIKeyBMSRUUDSPGPAAF-UHFFFAOYSA-N
XLogP1.69
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 51.69
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

Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 1419107
Phenylmethyloxadiazole
CID 98806
Sodium perchlorate hydrate
CID 270750
(3-Phenyl-1,2,4-oxadiazol-5-yl)methanol
CID 12569958
5-Ethenyl-3-phenyl-1,2,4-oxadiazole
CID 14373585
5-Methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59981871
3-Cyclopropyl-3'-(2-fluorophenyl)-5,5'-bi-1,2,4-oxadiazole
CID 75527906
3-Phenyl-5-(propan-2-yl)-1,2,4-oxadiazole
CID 12710734
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 25247831
3-Phenyl-1,2,4-oxadiazole-5-carbonitrile
CID 82412177
Ethyl 3-phenyl-(1,2,4)oxadiazole-5-carboxylate
CID 6461838
5-(Chloromethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2577552

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde?
The IUPAC name of 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde (CID 63773198) is 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde.
What is the SMILES notation for 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde?
The canonical SMILES for 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde is O=Cc1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde?
The InChIKey is BMSRUUDSPGPAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O2/c10-7-3-1-2-6(4-7)9-11-8(5-13)14-12-9/h1-5H.
What are the key properties of 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde?
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde has a molecular weight of 192.15 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde is sourced from PubChem (CID 63773198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).