3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde

C8H9NO2 — CID 59739607

IUPAC3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde
SMILESCc1onc(C2CC2)c1C=O
InChIInChI=1S/C8H9NO2/c1-5-7(4-10)8(9-11-5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyQQUPFUVMPFVZCE-UHFFFAOYSA-N
MW151.17 g/mol
LogP1.67
Rot. Bonds2

About 3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde

3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde (PubChem CID 59739607) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde
PubChem CID59739607
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Name3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde
SMILESCc1onc(C2CC2)c1C=O
InChIInChI=1S/C8H9NO2/c1-5-7(4-10)8(9-11-5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyQQUPFUVMPFVZCE-UHFFFAOYSA-N
XLogP1.67
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.67
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-5-methyl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde (CID 59739607) is 3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde is Cc1onc(C2CC2)c1C=O.
What is the InChIKey of 3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde?
The InChIKey is QQUPFUVMPFVZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-7(4-10)8(9-11-5)6-2-3-6/h4,6H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde?
3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 59739607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).