2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one

C24H17N3O3 — CID 3832882

IUPAC2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one
SMILESO=C1OC(c2ccccc2)NC1=Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H17N3O3/c28-24-20(25-21(30-24)17-7-3-1-4-8-17)15-16-11-13-19(14-12-16)23-27-26-22(29-23)18-9-5-2-6-10-18/h1-15,21,25H
InChIKeyBTZPADHWHWUYKP-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.59
Rot. Bonds4

About 2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one

2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one (PubChem CID 3832882) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one
PubChem CID3832882
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one
SMILESO=C1OC(c2ccccc2)NC1=Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H17N3O3/c28-24-20(25-21(30-24)17-7-3-1-4-8-17)15-16-11-13-19(14-12-16)23-27-26-22(29-23)18-9-5-2-6-10-18/h1-15,21,25H
InChIKeyBTZPADHWHWUYKP-UHFFFAOYSA-N
XLogP4.59
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one?
The IUPAC name of 2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one (CID 3832882) is 2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one.
What is the SMILES notation for 2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one?
The canonical SMILES for 2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one is O=C1OC(c2ccccc2)NC1=Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one?
The InChIKey is BTZPADHWHWUYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-24-20(25-21(30-24)17-7-3-1-4-8-17)15-16-11-13-19(14-12-16)23-27-26-22(29-23)18-9-5-2-6-10-18/h1-15,21,25H.
What are the key properties of 2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one?
2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one has a molecular weight of 395.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one is sourced from PubChem (CID 3832882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).