3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal

C12H17NO2 — CID 83833821

IUPAC3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal
SMILESCC(C)c1cc(C(CC=O)C2CC2)no1
InChIInChI=1S/C12H17NO2/c1-8(2)12-7-11(13-15-12)10(5-6-14)9-3-4-9/h6-10H,3-5H2,1-2H3
InChIKeyZPDMVKVAIQXIOC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.88
Rot. Bonds5

About 3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal

3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal (PubChem CID 83833821) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal.

Molecular Properties

Compound Name3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal
PubChem CID83833821
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal
SMILESCC(C)c1cc(C(CC=O)C2CC2)no1
InChIInChI=1S/C12H17NO2/c1-8(2)12-7-11(13-15-12)10(5-6-14)9-3-4-9/h6-10H,3-5H2,1-2H3
InChIKeyZPDMVKVAIQXIOC-UHFFFAOYSA-N
XLogP2.88
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal?
The IUPAC name of 3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal (CID 83833821) is 3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal.
What is the SMILES notation for 3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal?
The canonical SMILES for 3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal is CC(C)c1cc(C(CC=O)C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal?
The InChIKey is ZPDMVKVAIQXIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)12-7-11(13-15-12)10(5-6-14)9-3-4-9/h6-10H,3-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal?
3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal has a molecular weight of 207.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal is sourced from PubChem (CID 83833821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).