4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde

C10H7NO3 — CID 84719224

IUPAC4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(=O)o[nH]2)cc1
InChIInChI=1S/C10H7NO3/c12-6-7-1-3-8(4-2-7)9-5-10(13)14-11-9/h1-6,11H
InChIKeyGYRIVSIMAJQADI-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.45
Rot. Bonds2

About 4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde

4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde (PubChem CID 84719224) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde
PubChem CID84719224
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(=O)o[nH]2)cc1
InChIInChI=1S/C10H7NO3/c12-6-7-1-3-8(4-2-7)9-5-10(13)14-11-9/h1-6,11H
InChIKeyGYRIVSIMAJQADI-UHFFFAOYSA-N
XLogP1.45
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-formyl-N-hydroxybenzamide
CID 89880607
Benzoylisoxazol-5-one
CID 129777087
3-Ethyl-2-(4-methylbenzoyl)-1,2-oxazol-5-one
CID 20405587
5-oxo-3-phenyl-2H-1,2-oxazole-4-carbaldehyde
CID 22096039
3-(4-Methylphenyl)-1,2-oxazol-5-ol
CID 23469387
Tert-butyl 3-(4-formylphenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57117046
Tert-butyl 3-(4-formylphenyl)-2,5-dihydro-1,2-oxazole-4-carboxylate
CID 57155270
Ethyl 3-(4-formylphenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57237777
[(4-Formylbenzoyl)amino] carbonochloridate
CID 88635447
4-(1-Aminoethenyl)benzaldehyde
CID 89321347
4-(2,5-Dihydro-1,2-oxazol-3-yl)benzamide
CID 90789310
1-(methoxyamino)-3H-indene-5-carbaldehyde
CID 91391618

Frequently Asked Questions

What is the IUPAC name of 4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde?
The IUPAC name of 4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde (CID 84719224) is 4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde.
What is the SMILES notation for 4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde?
The canonical SMILES for 4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde is O=Cc1ccc(-c2cc(=O)o[nH]2)cc1.
What is the InChIKey of 4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde?
The InChIKey is GYRIVSIMAJQADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-6-7-1-3-8(4-2-7)9-5-10(13)14-11-9/h1-6,11H.
What are the key properties of 4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde?
4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde has a molecular weight of 189.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde is sourced from PubChem (CID 84719224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).