4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde

C12H11NO2 — CID 105453415

IUPAC4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde
SMILESCc1ccccc1-c1oc(C=O)nc1C
InChIInChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)12-9(2)13-11(7-14)15-12/h3-7H,1-2H3
InChIKeyVVAXHYLCMYBCFU-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.77
Rot. Bonds2

About 4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde

4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde (PubChem CID 105453415) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde
PubChem CID105453415
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde
SMILESCc1ccccc1-c1oc(C=O)nc1C
InChIInChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)12-9(2)13-11(7-14)15-12/h3-7H,1-2H3
InChIKeyVVAXHYLCMYBCFU-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde?
The IUPAC name of 4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde (CID 105453415) is 4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde.
What is the SMILES notation for 4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde?
The canonical SMILES for 4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde is Cc1ccccc1-c1oc(C=O)nc1C.
What is the InChIKey of 4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde?
The InChIKey is VVAXHYLCMYBCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)12-9(2)13-11(7-14)15-12/h3-7H,1-2H3.
What are the key properties of 4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde?
4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde 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-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde is sourced from PubChem (CID 105453415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).