3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione

C21H15NO3S — CID 174994231

IUPAC3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESO=C1OC(=C(c2ccccc2)c2cccs2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H15NO3S/c23-20-19(25-21(24)22(20)14-15-8-3-1-4-9-15)18(17-12-7-13-26-17)16-10-5-2-6-11-16/h1-13H,14H2
InChIKeyGNVKBWCZDNUZPN-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.69
Rot. Bonds4

About 3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione

3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 174994231) has the molecular formula C21H15NO3S and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID174994231
Molecular FormulaC21H15NO3S
Molecular Weight361.42 g/mol
Exact Mass361.08
IUPAC Name3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESO=C1OC(=C(c2ccccc2)c2cccs2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H15NO3S/c23-20-19(25-21(24)22(20)14-15-8-3-1-4-9-15)18(17-12-7-13-26-17)16-10-5-2-6-11-16/h1-13H,14H2
InChIKeyGNVKBWCZDNUZPN-UHFFFAOYSA-N
XLogP4.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione (CID 174994231) is 3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione is O=C1OC(=C(c2ccccc2)c2cccs2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is GNVKBWCZDNUZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3S/c23-20-19(25-21(24)22(20)14-15-8-3-1-4-9-15)18(17-12-7-13-26-17)16-10-5-2-6-11-16/h1-13H,14H2.
What are the key properties of 3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione?
3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 361.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 174994231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).