3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde

C10H8N2O2 — CID 7060547

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
SMILESCc1nc(-c2cccc(C=O)c2)no1
InChIInChI=1S/C10H8N2O2/c1-7-11-10(12-14-7)9-4-2-3-8(5-9)6-13/h2-6H,1H3
InChIKeyUEKHVFDHZRFETL-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.86
Rot. Bonds2

About 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde

3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde (PubChem CID 7060547) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
PubChem CID7060547
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
SMILESCc1nc(-c2cccc(C=O)c2)no1
InChIInChI=1S/C10H8N2O2/c1-7-11-10(12-14-7)9-4-2-3-8(5-9)6-13/h2-6H,1H3
InChIKeyUEKHVFDHZRFETL-UHFFFAOYSA-N
XLogP1.86
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde (CID 7060547) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde is Cc1nc(-c2cccc(C=O)c2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde?
The InChIKey is UEKHVFDHZRFETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-7-11-10(12-14-7)9-4-2-3-8(5-9)6-13/h2-6H,1H3.
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde?
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde has a molecular weight of 188.19 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde is sourced from PubChem (CID 7060547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).