3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde

C12H12N2O3 — CID 54959294

IUPAC3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
SMILESCCc1nc(COc2cccc(C=O)c2)no1
InChIInChI=1S/C12H12N2O3/c1-2-12-13-11(14-17-12)8-16-10-5-3-4-9(6-10)7-15/h3-7H,2,8H2,1H3
InChIKeyIZGYUHUNTCAZGX-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.02
Rot. Bonds5

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

3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde (PubChem CID 54959294) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
PubChem CID54959294
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
SMILESCCc1nc(COc2cccc(C=O)c2)no1
InChIInChI=1S/C12H12N2O3/c1-2-12-13-11(14-17-12)8-16-10-5-3-4-9(6-10)7-15/h3-7H,2,8H2,1H3
InChIKeyIZGYUHUNTCAZGX-UHFFFAOYSA-N
XLogP2.02
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436
1-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54961430
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-nitrobenzaldehyde
CID 62115532
3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029174
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzaldehyde
CID 66354074
3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 52734301
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenol
CID 43143517
5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole
CID 102847040
5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole
CID 63862061
(1R)-1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 55189536
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
3-[[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 97058040

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde?
The IUPAC name of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde (CID 54959294) is 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde is CCc1nc(COc2cccc(C=O)c2)no1.
What is the InChIKey of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde?
The InChIKey is IZGYUHUNTCAZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-12-13-11(14-17-12)8-16-10-5-3-4-9(6-10)7-15/h3-7H,2,8H2,1H3.
What are the key properties of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde?
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde has a molecular weight of 232.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde is sourced from PubChem (CID 54959294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).