2,4-dimethyl-1,3-oxazole-5-carbaldehyde

C6H7NO2 — CID 10606742

IUPAC2,4-dimethyl-1,3-oxazole-5-carbaldehyde
SMILESCc1nc(C)c(C=O)o1
InChIInChI=1S/C6H7NO2/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3
InChIKeyOPTYBWVHZBYRGJ-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.10
Rot. Bonds1

About 2,4-dimethyl-1,3-oxazole-5-carbaldehyde

2,4-dimethyl-1,3-oxazole-5-carbaldehyde (PubChem CID 10606742) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethyl-1,3-oxazole-5-carbaldehyde
PubChem CID10606742
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name2,4-dimethyl-1,3-oxazole-5-carbaldehyde
SMILESCc1nc(C)c(C=O)o1
InChIInChI=1S/C6H7NO2/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3
InChIKeyOPTYBWVHZBYRGJ-UHFFFAOYSA-N
XLogP1.10
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.10
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

5-Acetyl-2,4-dimethyloxazole
CID 318418
4-Methyl-1,3-oxazole-5-carbaldehyde
CID 14920523
4,5-Dimethyl-1,3-oxazole-2-carbaldehyde
CID 14920525
2,5-Dimethyl-1,3-oxazole-4-carboxaldehyde
CID 7537478
1-(4,5-Dimethyloxazol-2-yl)ethanone
CID 12691730
4-Methyl-2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde
CID 84656722
2-Methyl-5-(trifluoromethyl)oxazole-4-carbaldehyde
CID 87957537
Fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate
CID 143169030
4-(Difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carbaldehyde
CID 169165549
4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde
CID 175961606
2-(2-Hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde
CID 176371174
4-(Fluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carbaldehyde
CID 176371177

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 2,4-dimethyl-1,3-oxazole-5-carbaldehyde (CID 10606742) is 2,4-dimethyl-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 2,4-dimethyl-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 2,4-dimethyl-1,3-oxazole-5-carbaldehyde is Cc1nc(C)c(C=O)o1.
What is the InChIKey of 2,4-dimethyl-1,3-oxazole-5-carbaldehyde?
The InChIKey is OPTYBWVHZBYRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3.
What are the key properties of 2,4-dimethyl-1,3-oxazole-5-carbaldehyde?
2,4-dimethyl-1,3-oxazole-5-carbaldehyde has a molecular weight of 125.13 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 10606742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).