benzene;1,2-oxazole-4-carbaldehyde

C10H9NO2 — CID 174373862

IUPACbenzene;1,2-oxazole-4-carbaldehyde
SMILESO=Cc1cnoc1.c1ccccc1
InChIInChI=1S/C6H6.C4H3NO2/c1-2-4-6-5-3-1;6-2-4-1-5-7-3-4/h1-6H;1-3H
InChIKeyLSZWGQNLUMFYJH-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.17
Rot. Bonds1

About benzene;1,2-oxazole-4-carbaldehyde

benzene;1,2-oxazole-4-carbaldehyde (PubChem CID 174373862) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is benzene;1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Namebenzene;1,2-oxazole-4-carbaldehyde
PubChem CID174373862
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Namebenzene;1,2-oxazole-4-carbaldehyde
SMILESO=Cc1cnoc1.c1ccccc1
InChIInChI=1S/C6H6.C4H3NO2/c1-2-4-6-5-3-1;6-2-4-1-5-7-3-4/h1-6H;1-3H
InChIKeyLSZWGQNLUMFYJH-UHFFFAOYSA-N
XLogP2.17
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;1,2-oxazole-4-carbaldehyde?
The IUPAC name of benzene;1,2-oxazole-4-carbaldehyde (CID 174373862) is benzene;1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for benzene;1,2-oxazole-4-carbaldehyde?
The canonical SMILES for benzene;1,2-oxazole-4-carbaldehyde is O=Cc1cnoc1.c1ccccc1.
What is the InChIKey of benzene;1,2-oxazole-4-carbaldehyde?
The InChIKey is LSZWGQNLUMFYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H3NO2/c1-2-4-6-5-3-1;6-2-4-1-5-7-3-4/h1-6H;1-3H.
What are the key properties of benzene;1,2-oxazole-4-carbaldehyde?
benzene;1,2-oxazole-4-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 174373862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).