4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde

C15H19NO2 — CID 18429014

IUPAC4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde
SMILESCC1(C)COC(C(C)(C)c2ccc(C=O)cc2)=N1
InChIInChI=1S/C15H19NO2/c1-14(2)10-18-13(16-14)15(3,4)12-7-5-11(9-17)6-8-12/h5-9H,10H2,1-4H3
InChIKeyJVUJHAMLMBRUGS-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.98
Rot. Bonds3

About 4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde

4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde (PubChem CID 18429014) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde
PubChem CID18429014
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde
SMILESCC1(C)COC(C(C)(C)c2ccc(C=O)cc2)=N1
InChIInChI=1S/C15H19NO2/c1-14(2)10-18-13(16-14)15(3,4)12-7-5-11(9-17)6-8-12/h5-9H,10H2,1-4H3
InChIKeyJVUJHAMLMBRUGS-UHFFFAOYSA-N
XLogP2.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.98
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

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate
CID 102150062
5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carbaldehyde
CID 13413505
4-(5,5-dimethyl-1,3-dioxan-2-yl)benzaldehyde
CID 14827744
4-[(R)-amino-hydroxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzaldehyde
CID 171191274
[3-(4-formylphenyl)-2,2,4,4-tetramethylpentan-3-yl]phosphonic acid
CID 19002288
4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde
CID 105438723
4-(1,1-diaminopropyl)benzaldehyde
CID 163938145
4-(2-aminopent-4-en-2-yl)benzaldehyde
CID 145484483
5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde
CID 12527052
3,3-dimethyl-2H-1-benzofuran-5-carbaldehyde
CID 20536180
4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole
CID 6311587
4-(2-methyl-1-methylsulfonylpropan-2-yl)benzaldehyde
CID 117118459

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde?
The IUPAC name of 4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde (CID 18429014) is 4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde.
What is the SMILES notation for 4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde?
The canonical SMILES for 4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde is CC1(C)COC(C(C)(C)c2ccc(C=O)cc2)=N1.
What is the InChIKey of 4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde?
The InChIKey is JVUJHAMLMBRUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-14(2)10-18-13(16-14)15(3,4)12-7-5-11(9-17)6-8-12/h5-9H,10H2,1-4H3.
What are the key properties of 4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde?
4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde has a molecular weight of 245.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde is sourced from PubChem (CID 18429014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).