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

C13H14N2O3 — CID 30029227

IUPAC4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
SMILESCC(C)c1noc(COc2ccc(C=O)cc2)n1
InChIInChI=1S/C13H14N2O3/c1-9(2)13-14-12(18-15-13)8-17-11-5-3-10(7-16)4-6-11/h3-7,9H,8H2,1-2H3
InChIKeyVJJKOQZIARKPMQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.58
Rot. Bonds5

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

4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde (PubChem CID 30029227) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
PubChem CID30029227
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
SMILESCC(C)c1noc(COc2ccc(C=O)cc2)n1
InChIInChI=1S/C13H14N2O3/c1-9(2)13-14-12(18-15-13)8-17-11-5-3-10(7-16)4-6-11/h3-7,9H,8H2,1-2H3
InChIKeyVJJKOQZIARKPMQ-UHFFFAOYSA-N
XLogP2.58
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-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

Related Compounds

1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495251
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 30591348
ethyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60721315
5-[(4-pentylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 112811277
5-methyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,2,4-oxadiazole
CID 47025975
4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
CID 61495340
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 32758594
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376
5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 116794038
3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 95770468
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The IUPAC name of 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde (CID 30029227) is 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde is CC(C)c1noc(COc2ccc(C=O)cc2)n1.
What is the InChIKey of 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The InChIKey is VJJKOQZIARKPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(2)13-14-12(18-15-13)8-17-11-5-3-10(7-16)4-6-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde has a molecular weight of 246.27 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde is sourced from PubChem (CID 30029227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).