benzaldehyde;2-phenyl-1,3-oxazole

C16H13NO2 — CID 157335957

IUPACbenzaldehyde;2-phenyl-1,3-oxazole
SMILESO=Cc1ccccc1.c1ccc(-c2ncco2)cc1
InChIInChI=1S/C9H7NO.C7H6O/c1-2-4-8(5-3-1)9-10-6-7-11-9;8-6-7-4-2-1-3-5-7/h1-7H;1-6H
InChIKeyBFVMFHVKPFBFJA-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.84
Rot. Bonds2

About benzaldehyde;2-phenyl-1,3-oxazole

benzaldehyde;2-phenyl-1,3-oxazole (PubChem CID 157335957) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is benzaldehyde;2-phenyl-1,3-oxazole.

Molecular Properties

Compound Namebenzaldehyde;2-phenyl-1,3-oxazole
PubChem CID157335957
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Namebenzaldehyde;2-phenyl-1,3-oxazole
SMILESO=Cc1ccccc1.c1ccc(-c2ncco2)cc1
InChIInChI=1S/C9H7NO.C7H6O/c1-2-4-8(5-3-1)9-10-6-7-11-9;8-6-7-4-2-1-3-5-7/h1-7H;1-6H
InChIKeyBFVMFHVKPFBFJA-UHFFFAOYSA-N
XLogP3.84
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.84
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 benzaldehyde;2-phenyl-1,3-oxazole?
The IUPAC name of benzaldehyde;2-phenyl-1,3-oxazole (CID 157335957) is benzaldehyde;2-phenyl-1,3-oxazole.
What is the SMILES notation for benzaldehyde;2-phenyl-1,3-oxazole?
The canonical SMILES for benzaldehyde;2-phenyl-1,3-oxazole is O=Cc1ccccc1.c1ccc(-c2ncco2)cc1.
What is the InChIKey of benzaldehyde;2-phenyl-1,3-oxazole?
The InChIKey is BFVMFHVKPFBFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C7H6O/c1-2-4-8(5-3-1)9-10-6-7-11-9;8-6-7-4-2-1-3-5-7/h1-7H;1-6H.
What are the key properties of benzaldehyde;2-phenyl-1,3-oxazole?
benzaldehyde;2-phenyl-1,3-oxazole has a molecular weight of 251.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;2-phenyl-1,3-oxazole is sourced from PubChem (CID 157335957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).