3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one

C15H15Cl2NO3 — CID 59299433

IUPAC3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CCC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCOC1=O
InChIInChI=1S/C15H15Cl2NO3/c1-2-3-11(14(19)18-6-7-21-15(18)20)8-10-4-5-12(16)9-13(10)17/h2,4-5,9,11H,1,3,6-8H2
InChIKeyBUNLFQYURQMGIJ-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.71
Rot. Bonds5

About 3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one

3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 59299433) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.20 g/mol. Its IUPAC name is 3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID59299433
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.20 g/mol
Exact Mass327.04
IUPAC Name3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CCC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCOC1=O
InChIInChI=1S/C15H15Cl2NO3/c1-2-3-11(14(19)18-6-7-21-15(18)20)8-10-4-5-12(16)9-13(10)17/h2,4-5,9,11H,1,3,6-8H2
InChIKeyBUNLFQYURQMGIJ-UHFFFAOYSA-N
XLogP3.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one (CID 59299433) is 3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one is C=CCC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCOC1=O.
What is the InChIKey of 3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is BUNLFQYURQMGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c1-2-3-11(14(19)18-6-7-21-15(18)20)8-10-4-5-12(16)9-13(10)17/h2,4-5,9,11H,1,3,6-8H2.
What are the key properties of 3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 328.20 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,4-dichlorophenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59299433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).