4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde

C11H9NO2 — CID 83483323

IUPAC4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde
SMILESCc1ncoc1-c1ccc(C=O)cc1
InChIInChI=1S/C11H9NO2/c1-8-11(14-7-12-8)10-4-2-9(6-13)3-5-10/h2-7H,1H3
InChIKeyPMFVNGSYJAIEPJ-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.46
Rot. Bonds2

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

4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde (PubChem CID 83483323) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde
PubChem CID83483323
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde
SMILESCc1ncoc1-c1ccc(C=O)cc1
InChIInChI=1S/C11H9NO2/c1-8-11(14-7-12-8)10-4-2-9(6-13)3-5-10/h2-7H,1H3
InChIKeyPMFVNGSYJAIEPJ-UHFFFAOYSA-N
XLogP2.46
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.46
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 4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde?
The IUPAC name of 4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde (CID 83483323) is 4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde.
What is the SMILES notation for 4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde?
The canonical SMILES for 4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde is Cc1ncoc1-c1ccc(C=O)cc1.
What is the InChIKey of 4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde?
The InChIKey is PMFVNGSYJAIEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8-11(14-7-12-8)10-4-2-9(6-13)3-5-10/h2-7H,1H3.
What are the key properties of 4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde?
4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde has a molecular weight of 187.20 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde is sourced from PubChem (CID 83483323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).