2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde

C11H9NO2 — CID 115017229

IUPAC2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde
SMILESCc1coc(-c2ccccc2C=O)n1
InChIInChI=1S/C11H9NO2/c1-8-7-14-11(12-8)10-5-3-2-4-9(10)6-13/h2-7H,1H3
InChIKeyIHBAZKXQXFMWEX-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.46
Rot. Bonds2

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

2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde (PubChem CID 115017229) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde
PubChem CID115017229
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde
SMILESCc1coc(-c2ccccc2C=O)n1
InChIInChI=1S/C11H9NO2/c1-8-7-14-11(12-8)10-5-3-2-4-9(10)6-13/h2-7H,1H3
InChIKeyIHBAZKXQXFMWEX-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 2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde?
The IUPAC name of 2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde (CID 115017229) is 2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde.
What is the SMILES notation for 2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde?
The canonical SMILES for 2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde is Cc1coc(-c2ccccc2C=O)n1.
What is the InChIKey of 2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde?
The InChIKey is IHBAZKXQXFMWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8-7-14-11(12-8)10-5-3-2-4-9(10)6-13/h2-7H,1H3.
What are the key properties of 2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde?
2-(4-methyl-1,3-oxazol-2-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 2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde is sourced from PubChem (CID 115017229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).