2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde

C9H11NO3 — CID 164649653

IUPAC2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde
SMILESCC1CC(c2ncc(C=O)o2)CO1
InChIInChI=1S/C9H11NO3/c1-6-2-7(5-12-6)9-10-3-8(4-11)13-9/h3-4,6-7H,2,5H2,1H3
InChIKeyPPZXGBJLHCWZJK-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.38
Rot. Bonds2

About 2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde

2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde (PubChem CID 164649653) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde
PubChem CID164649653
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde
SMILESCC1CC(c2ncc(C=O)o2)CO1
InChIInChI=1S/C9H11NO3/c1-6-2-7(5-12-6)9-10-3-8(4-11)13-9/h3-4,6-7H,2,5H2,1H3
InChIKeyPPZXGBJLHCWZJK-UHFFFAOYSA-N
XLogP1.38
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde 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 2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde (CID 164649653) is 2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde is CC1CC(c2ncc(C=O)o2)CO1.
What is the InChIKey of 2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde?
The InChIKey is PPZXGBJLHCWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-2-7(5-12-6)9-10-3-8(4-11)13-9/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde?
2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde has a molecular weight of 181.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 164649653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).