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

C14H15NO2 — CID 82128389

IUPAC3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde
SMILESCCCc1ccc(-c2onc(C)c2C=O)cc1
InChIInChI=1S/C14H15NO2/c1-3-4-11-5-7-12(8-6-11)14-13(9-16)10(2)15-17-14/h5-9H,3-4H2,1-2H3
InChIKeyXUVWXAUKPCPSPH-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.42
Rot. Bonds4

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

3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde (PubChem CID 82128389) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde
PubChem CID82128389
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde
SMILESCCCc1ccc(-c2onc(C)c2C=O)cc1
InChIInChI=1S/C14H15NO2/c1-3-4-11-5-7-12(8-6-11)14-13(9-16)10(2)15-17-14/h5-9H,3-4H2,1-2H3
InChIKeyXUVWXAUKPCPSPH-UHFFFAOYSA-N
XLogP3.42
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde
CID 82128384
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde
CID 141297227
5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82128256
2,6-difluoro-4-(4-propylphenyl)benzaldehyde
CID 22561373
4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde
CID 80725406
ethane;formamide;1-methyl-4-propylbenzene
CID 143471754
5-(4-bromophenyl)-3-methyl-4-(4-phenylbut-1-enyl)-1,2-oxazole
CID 66578468
5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole
CID 66578467
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
3-(4-propylphenyl)furan-2-carbaldehyde
CID 106886471
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde (CID 82128389) is 3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde is CCCc1ccc(-c2onc(C)c2C=O)cc1.
What is the InChIKey of 3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is XUVWXAUKPCPSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-4-11-5-7-12(8-6-11)14-13(9-16)10(2)15-17-14/h5-9H,3-4H2,1-2H3.
What are the key properties of 3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde?
3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 82128389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).