4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one

C26H23NO2 — CID 20748950

IUPAC4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one
SMILESC/C=C(\C)C1COC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23NO2/c1-3-18(2)24-17-29-25(28)27(24)26(19-11-5-4-6-12-19)22-15-9-7-13-20(22)21-14-8-10-16-23(21)26/h3-16,24H,17H2,1-2H3/b18-3+
InChIKeyXBIHDKKWXRODMW-JFQJCAQQSA-N
MW381.48 g/mol
LogP5.75
Rot. Bonds3

About 4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one

4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one (PubChem CID 20748950) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one
PubChem CID20748950
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one
SMILESC/C=C(\C)C1COC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23NO2/c1-3-18(2)24-17-29-25(28)27(24)26(19-11-5-4-6-12-19)22-15-9-7-13-20(22)21-14-8-10-16-23(21)26/h3-16,24H,17H2,1-2H3/b18-3+
InChIKeyXBIHDKKWXRODMW-JFQJCAQQSA-N
XLogP5.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one (CID 20748950) is 4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one is C/C=C(\C)C1COC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one?
The InChIKey is XBIHDKKWXRODMW-JFQJCAQQSA-N. The full InChI is InChI=1S/C26H23NO2/c1-3-18(2)24-17-29-25(28)27(24)26(19-11-5-4-6-12-19)22-15-9-7-13-20(22)21-14-8-10-16-23(21)26/h3-16,24H,17H2,1-2H3/b18-3+.
What are the key properties of 4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one?
4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one has a molecular weight of 381.48 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-en-2-yl]-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 20748950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).