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

C14H15NO2 — CID 82128384

IUPAC3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde
SMILESCc1noc(-c2ccc(C(C)C)cc2)c1C=O
InChIInChI=1S/C14H15NO2/c1-9(2)11-4-6-12(7-5-11)14-13(8-16)10(3)15-17-14/h4-9H,1-3H3
InChIKeyIJMXMSBFMIGCFX-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.59
Rot. Bonds3

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

3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde (PubChem CID 82128384) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde
PubChem CID82128384
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde
SMILESCc1noc(-c2ccc(C(C)C)cc2)c1C=O
InChIInChI=1S/C14H15NO2/c1-9(2)11-4-6-12(7-5-11)14-13(8-16)10(3)15-17-14/h4-9H,1-3H3
InChIKeyIJMXMSBFMIGCFX-UHFFFAOYSA-N
XLogP3.59
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.59
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

5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde
CID 141297227
3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde
CID 82128389
5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82128256
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82085722
1-[4-[4-[3-methyl-4-[(E)-3-methyl-4-(4-propan-2-ylphenyl)but-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578738
1-[4-[4-[3-methyl-4-[3-methyl-4-(4-propan-2-ylphenyl)but-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578739
3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde
CID 82126942
4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde
CID 112752525
3-methyl-4-[(E)-4-phenylpent-1-enyl]-5-(4-phenylphenyl)-1,2-oxazole
CID 141296022
4-ethyl-5-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 66199437
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde (CID 82128384) is 3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde is Cc1noc(-c2ccc(C(C)C)cc2)c1C=O.
What is the InChIKey of 3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is IJMXMSBFMIGCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9(2)11-4-6-12(7-5-11)14-13(8-16)10(3)15-17-14/h4-9H,1-3H3.
What are the key properties of 3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde?
3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 82128384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).