4-propan-2-yl-1,3-oxazole-5-carbaldehyde

C7H9NO2 — CID 83815109

IUPAC4-propan-2-yl-1,3-oxazole-5-carbaldehyde
SMILESCC(C)c1ncoc1C=O
InChIInChI=1S/C7H9NO2/c1-5(2)7-6(3-9)10-4-8-7/h3-5H,1-2H3
InChIKeyFHOQTWXVRLYWNR-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.61
Rot. Bonds2

About 4-propan-2-yl-1,3-oxazole-5-carbaldehyde

4-propan-2-yl-1,3-oxazole-5-carbaldehyde (PubChem CID 83815109) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name4-propan-2-yl-1,3-oxazole-5-carbaldehyde
PubChem CID83815109
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4-propan-2-yl-1,3-oxazole-5-carbaldehyde
SMILESCC(C)c1ncoc1C=O
InChIInChI=1S/C7H9NO2/c1-5(2)7-6(3-9)10-4-8-7/h3-5H,1-2H3
InChIKeyFHOQTWXVRLYWNR-UHFFFAOYSA-N
XLogP1.61
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde
CID 83815385
2-oxo-2-(4-propan-2-yl-1,3-oxazol-5-yl)acetaldehyde
CID 174974265
4-cyclohexyl-1,3-oxazole-5-carbaldehyde
CID 83816829
N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684952
5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde
CID 105429873
ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol
CID 145061110
4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
CID 122697307
2-propan-2-yl-1,3-oxazole-4-carbaldehyde
CID 51072215
4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde
CID 82134718
4-fluoro-5-propan-2-yl-1,3-oxazole
CID 171831430
2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde
CID 83878437
5-propan-2-yl-2H-triazole-4-carbaldehyde
CID 82377898

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 4-propan-2-yl-1,3-oxazole-5-carbaldehyde (CID 83815109) is 4-propan-2-yl-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 4-propan-2-yl-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 4-propan-2-yl-1,3-oxazole-5-carbaldehyde is CC(C)c1ncoc1C=O.
What is the InChIKey of 4-propan-2-yl-1,3-oxazole-5-carbaldehyde?
The InChIKey is FHOQTWXVRLYWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5(2)7-6(3-9)10-4-8-7/h3-5H,1-2H3.
What are the key properties of 4-propan-2-yl-1,3-oxazole-5-carbaldehyde?
4-propan-2-yl-1,3-oxazole-5-carbaldehyde has a molecular weight of 139.15 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 83815109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).