4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde

C13H13NO3 — CID 139898299

IUPAC4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde
SMILESCc1cnc(CCOc2ccc(C=O)cc2)o1
InChIInChI=1S/C13H13NO3/c1-10-8-14-13(17-10)6-7-16-12-4-2-11(9-15)3-5-12/h2-5,8-9H,6-7H2,1H3
InChIKeyYFDRMLBVSLCTCH-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.42
Rot. Bonds5

About 4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde

4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde (PubChem CID 139898299) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde
PubChem CID139898299
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde
SMILESCc1cnc(CCOc2ccc(C=O)cc2)o1
InChIInChI=1S/C13H13NO3/c1-10-8-14-13(17-10)6-7-16-12-4-2-11(9-15)3-5-12/h2-5,8-9H,6-7H2,1H3
InChIKeyYFDRMLBVSLCTCH-UHFFFAOYSA-N
XLogP2.42
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]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

5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-oxazole
CID 148627248
4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde
CID 103002817
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[3-(3,5-dimethylphenoxy)propoxy]benzaldehyde
CID 2219741
4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
CID 87614238
5-(5-methyl-1,3-oxazol-2-yl)pentanal
CID 166976909
4-(2-phosphanylethoxy)benzaldehyde
CID 143962429
4-(2-fluoroethoxy)benzaldehyde
CID 15058649
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
4-icosoxybenzaldehyde
CID 23127488
4-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzaldehyde
CID 10758402

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde?
The IUPAC name of 4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde (CID 139898299) is 4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde is Cc1cnc(CCOc2ccc(C=O)cc2)o1.
What is the InChIKey of 4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde?
The InChIKey is YFDRMLBVSLCTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-10-8-14-13(17-10)6-7-16-12-4-2-11(9-15)3-5-12/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde?
4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde has a molecular weight of 231.25 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde is sourced from PubChem (CID 139898299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).