3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde

C11H9NO2 — CID 2776516

IUPAC3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde
SMILESCc1noc(-c2ccccc2)c1C=O
InChIInChI=1S/C11H9NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyIZULDLZFUWWFHF-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.46
Rot. Bonds2

About 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde

3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde (PubChem CID 2776516) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde
PubChem CID2776516
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde
SMILESCc1noc(-c2ccccc2)c1C=O
InChIInChI=1S/C11H9NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyIZULDLZFUWWFHF-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 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde (CID 2776516) is 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde is Cc1noc(-c2ccccc2)c1C=O.
What is the InChIKey of 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde?
The InChIKey is IZULDLZFUWWFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde?
3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde 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 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 2776516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).