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

C13H13NO2 — CID 82126942

IUPAC3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde
SMILESCC(C)c1ccc(-c2cc(C=O)on2)cc1
InChIInChI=1S/C13H13NO2/c1-9(2)10-3-5-11(6-4-10)13-7-12(8-15)16-14-13/h3-9H,1-2H3
InChIKeySKYGGMCPIIMKAY-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.28
Rot. Bonds3

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

3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde (PubChem CID 82126942) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde
PubChem CID82126942
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde
SMILESCC(C)c1ccc(-c2cc(C=O)on2)cc1
InChIInChI=1S/C13H13NO2/c1-9(2)10-3-5-11(6-4-10)13-7-12(8-15)16-14-13/h3-9H,1-2H3
InChIKeySKYGGMCPIIMKAY-UHFFFAOYSA-N
XLogP3.28
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.28
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-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611
3-(4-propan-2-ylphenyl)-1,2-oxazole-5-sulfonyl fluoride
CID 165459883
4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde
CID 163982177
3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde
CID 82128384
4-(4-propan-2-ylphenyl)pyrimidine-2-carbaldehyde
CID 83918078
3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde
CID 145111341
4-propan-2-ylbenzaldehyde
CID 326
3-[4-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,2-oxazole-5-carbaldehyde
CID 91248560
2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole
CID 102974645
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398
4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde
CID 112752525
(E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one
CID 154926197

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde (CID 82126942) is 3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde is CC(C)c1ccc(-c2cc(C=O)on2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde?
The InChIKey is SKYGGMCPIIMKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9(2)10-3-5-11(6-4-10)13-7-12(8-15)16-14-13/h3-9H,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde?
3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde has a molecular weight of 215.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 82126942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).