5-(5-methyl-1,3-oxazol-2-yl)pentanal

C9H13NO2 — CID 166976909

IUPAC5-(5-methyl-1,3-oxazol-2-yl)pentanal
SMILESCc1cnc(CCCCC=O)o1
InChIInChI=1S/C9H13NO2/c1-8-7-10-9(12-8)5-3-2-4-6-11/h6-7H,2-5H2,1H3
InChIKeyCVKNBQSGLVWPKK-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.89
Rot. Bonds5

About 5-(5-methyl-1,3-oxazol-2-yl)pentanal

5-(5-methyl-1,3-oxazol-2-yl)pentanal (PubChem CID 166976909) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(5-methyl-1,3-oxazol-2-yl)pentanal.

Molecular Properties

Compound Name5-(5-methyl-1,3-oxazol-2-yl)pentanal
PubChem CID166976909
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name5-(5-methyl-1,3-oxazol-2-yl)pentanal
SMILESCc1cnc(CCCCC=O)o1
InChIInChI=1S/C9H13NO2/c1-8-7-10-9(12-8)5-3-2-4-6-11/h6-7H,2-5H2,1H3
InChIKeyCVKNBQSGLVWPKK-UHFFFAOYSA-N
XLogP1.89
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(5-methyl-1,3-oxazol-2-yl)pentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,3-oxazol-2-yl)pentanal?
The IUPAC name of 5-(5-methyl-1,3-oxazol-2-yl)pentanal (CID 166976909) is 5-(5-methyl-1,3-oxazol-2-yl)pentanal.
What is the SMILES notation for 5-(5-methyl-1,3-oxazol-2-yl)pentanal?
The canonical SMILES for 5-(5-methyl-1,3-oxazol-2-yl)pentanal is Cc1cnc(CCCCC=O)o1.
What is the InChIKey of 5-(5-methyl-1,3-oxazol-2-yl)pentanal?
The InChIKey is CVKNBQSGLVWPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-8-7-10-9(12-8)5-3-2-4-6-11/h6-7H,2-5H2,1H3.
What are the key properties of 5-(5-methyl-1,3-oxazol-2-yl)pentanal?
5-(5-methyl-1,3-oxazol-2-yl)pentanal has a molecular weight of 167.21 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,3-oxazol-2-yl)pentanal is sourced from PubChem (CID 166976909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).