4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde

C12H11NO2 — CID 51063711

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
SMILESCc1noc(C)c1-c1ccc(C=O)cc1
InChIInChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-5-3-10(7-14)4-6-11/h3-7H,1-2H3
InChIKeyFIQNXMIUHQZTDY-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.77
Rot. Bonds2

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde

4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde (PubChem CID 51063711) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
PubChem CID51063711
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
SMILESCc1noc(C)c1-c1ccc(C=O)cc1
InChIInChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-5-3-10(7-14)4-6-11/h3-7H,1-2H3
InChIKeyFIQNXMIUHQZTDY-UHFFFAOYSA-N
XLogP2.77
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.77
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

3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600311
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine
CID 168592889
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde
CID 21220942
4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 91804006
4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole
CID 110669886
[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
CID 155943661
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide
CID 173261261

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde (CID 51063711) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde is Cc1noc(C)c1-c1ccc(C=O)cc1.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde?
The InChIKey is FIQNXMIUHQZTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-5-3-10(7-14)4-6-11/h3-7H,1-2H3.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde?
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde has a molecular weight of 201.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde is sourced from PubChem (CID 51063711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).