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

C11H8ClNO2 — CID 75359365

IUPAC5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde
SMILESCc1ccc(-c2noc(Cl)c2C=O)cc1
InChIInChI=1S/C11H8ClNO2/c1-7-2-4-8(5-3-7)10-9(6-14)11(12)15-13-10/h2-6H,1H3
InChIKeyWVOUNUASLMLERU-UHFFFAOYSA-N
MW221.64 g/mol
LogP3.12
Rot. Bonds2

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

5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde (PubChem CID 75359365) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde
PubChem CID75359365
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde
SMILESCc1ccc(-c2noc(Cl)c2C=O)cc1
InChIInChI=1S/C11H8ClNO2/c1-7-2-4-8(5-3-7)10-9(6-14)11(12)15-13-10/h2-6H,1H3
InChIKeyWVOUNUASLMLERU-UHFFFAOYSA-N
XLogP3.12
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 53.12
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 5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde (CID 75359365) is 5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde is Cc1ccc(-c2noc(Cl)c2C=O)cc1.
What is the InChIKey of 5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is WVOUNUASLMLERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c1-7-2-4-8(5-3-7)10-9(6-14)11(12)15-13-10/h2-6H,1H3.
What are the key properties of 5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde?
5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde has a molecular weight of 221.64 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 75359365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).