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

C10H7NO3 — CID 84719223

IUPAC3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde
SMILESO=Cc1cccc(-c2cc(=O)o[nH]2)c1
InChIInChI=1S/C10H7NO3/c12-6-7-2-1-3-8(4-7)9-5-10(13)14-11-9/h1-6,11H
InChIKeyYMKKCOUQAAHVOX-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.45
Rot. Bonds2

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

3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde (PubChem CID 84719223) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde
PubChem CID84719223
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde
SMILESO=Cc1cccc(-c2cc(=O)o[nH]2)c1
InChIInChI=1S/C10H7NO3/c12-6-7-2-1-3-8(4-7)9-5-10(13)14-11-9/h1-6,11H
InChIKeyYMKKCOUQAAHVOX-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

Benzoylisoxazol-5-one
CID 129777087
3-formyl-N-prop-2-enoxybenzamide
CID 11672903
4-(2,5-Dihydro-1,2-oxazol-3-yl)benzamide
CID 90789310
3-(2,5-Dihydro-1,2-oxazol-3-yl)benzoic acid
CID 91152750
2-[3-(2,5-Dihydro-1,2-oxazol-3-yl)benzoyl]cyclohex-2-en-1-one
CID 91200451
1-(methoxyamino)-3H-indene-5-carbaldehyde
CID 91391618
3-(1-Aminoethenyl)benzaldehyde
CID 132251016
3-formyl-N-hydroxybenzamide
CID 142045442
3-Methyl-2-(3-methylbenzoyl)-1,2-oxazol-5-one
CID 13664836
2-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde
CID 84719222
4-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde
CID 84719224
2-(4-methyl-5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde
CID 84721534

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde?
The IUPAC name of 3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde (CID 84719223) is 3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde.
What is the SMILES notation for 3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde?
The canonical SMILES for 3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde is O=Cc1cccc(-c2cc(=O)o[nH]2)c1.
What is the InChIKey of 3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde?
The InChIKey is YMKKCOUQAAHVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-6-7-2-1-3-8(4-7)9-5-10(13)14-11-9/h1-6,11H.
What are the key properties of 3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde?
3-(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 3-(5-oxo-2H-1,2-oxazol-3-yl)benzaldehyde is sourced from PubChem (CID 84719223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).