ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate

C16H20ClNO4 — CID 57222590

IUPACethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate
SMILESCCOC(=O)CCCCC1OC(=O)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO4/c1-2-21-14(19)6-4-3-5-13-15(18-16(20)22-13)11-7-9-12(17)10-8-11/h7-10,13,15H,2-6H2,1H3,(H,18,20)
InChIKeyXISQGWPTELIOQJ-UHFFFAOYSA-N
MW325.79 g/mol
LogP3.61
Rot. Bonds7

About ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate

ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate (PubChem CID 57222590) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate
PubChem CID57222590
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Nameethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate
SMILESCCOC(=O)CCCCC1OC(=O)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO4/c1-2-21-14(19)6-4-3-5-13-15(18-16(20)22-13)11-7-9-12(17)10-8-11/h7-10,13,15H,2-6H2,1H3,(H,18,20)
InChIKeyXISQGWPTELIOQJ-UHFFFAOYSA-N
XLogP3.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate?
The IUPAC name of ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate (CID 57222590) is ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate.
What is the SMILES notation for ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate?
The canonical SMILES for ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate is CCOC(=O)CCCCC1OC(=O)NC1c1ccc(Cl)cc1.
What is the InChIKey of ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate?
The InChIKey is XISQGWPTELIOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4/c1-2-21-14(19)6-4-3-5-13-15(18-16(20)22-13)11-7-9-12(17)10-8-11/h7-10,13,15H,2-6H2,1H3,(H,18,20).
What are the key properties of ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate?
ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate has a molecular weight of 325.79 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate is sourced from PubChem (CID 57222590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).