3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one

C22H16ClNO4 — CID 60602506

About 3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one

3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 60602506) has the molecular formula C22H16ClNO4 and a molecular weight of 393.83 g/mol. Its IUPAC name is 3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 60602506
• Molecular Formula: C22H16ClNO4
• Molecular Weight: 393.83 g/mol
• Exact Mass: 393.08
• IUPAC Name: 3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
• SMILES: O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1cccc(N2CCOC2=O)c1
• InChI: InChI=1S/C22H16ClNO4/c23-19-7-2-1-6-18(19)21-11-9-17(28-21)8-10-20(25)15-4-3-5-16(14-15)24-12-13-27-22(24)26/h1-11,14H,12-13H2/b10-8+
• InChIKey: AXYUJLPVUMZXEI-CSKARUKUSA-N
• XLogP: 5.45
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.83
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one (CID 60602506) is 3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1cccc(N2CCOC2=O)c1.

What is the InChIKey of 3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?

The InChIKey is AXYUJLPVUMZXEI-CSKARUKUSA-N. The full InChI is InChI=1S/C22H16ClNO4/c23-19-7-2-1-6-18(19)21-11-9-17(28-21)8-10-20(25)15-4-3-5-16(14-15)24-12-13-27-22(24)26/h1-11,14H,12-13H2/b10-8+.

What are the key properties of 3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?

3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 393.83 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 60602506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).