2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile

C17H10N2O2 — CID 143438347

IUPAC2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(C=O)cc2)oc1-c1ccccc1
InChIInChI=1S/C17H10N2O2/c18-10-15-16(13-4-2-1-3-5-13)21-17(19-15)14-8-6-12(11-20)7-9-14/h1-9,11H
InChIKeyXSLNKFSKAUCVJH-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.69
Rot. Bonds3

About 2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile

2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile (PubChem CID 143438347) has the molecular formula C17H10N2O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile
PubChem CID143438347
Molecular FormulaC17H10N2O2
Molecular Weight274.28 g/mol
Exact Mass274.07
IUPAC Name2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(C=O)cc2)oc1-c1ccccc1
InChIInChI=1S/C17H10N2O2/c18-10-15-16(13-4-2-1-3-5-13)21-17(19-15)14-8-6-12(11-20)7-9-14/h1-9,11H
InChIKeyXSLNKFSKAUCVJH-UHFFFAOYSA-N
XLogP3.69
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile (CID 143438347) is 2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(C=O)cc2)oc1-c1ccccc1.
What is the InChIKey of 2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile?
The InChIKey is XSLNKFSKAUCVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2/c18-10-15-16(13-4-2-1-3-5-13)21-17(19-15)14-8-6-12(11-20)7-9-14/h1-9,11H.
What are the key properties of 2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile?
2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile has a molecular weight of 274.28 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 143438347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).