[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate

C17H14ClNO4 — CID 102224412

IUPAC[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
SMILESO=C1NC(COC(=O)c2ccccc2)(c2ccc(Cl)cc2)CO1
InChIInChI=1S/C17H14ClNO4/c18-14-8-6-13(7-9-14)17(11-23-16(21)19-17)10-22-15(20)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21)
InChIKeyREAQDDDXTNOBOM-UHFFFAOYSA-N
MW331.75 g/mol
LogP3.13
Rot. Bonds4

About [4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate

[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate (PubChem CID 102224412) has the molecular formula C17H14ClNO4 and a molecular weight of 331.75 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
PubChem CID102224412
Molecular FormulaC17H14ClNO4
Molecular Weight331.75 g/mol
Exact Mass331.06
IUPAC Name[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
SMILESO=C1NC(COC(=O)c2ccccc2)(c2ccc(Cl)cc2)CO1
InChIInChI=1S/C17H14ClNO4/c18-14-8-6-13(7-9-14)17(11-23-16(21)19-17)10-22-15(20)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21)
InChIKeyREAQDDDXTNOBOM-UHFFFAOYSA-N
XLogP3.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate
CID 134948763
(5-methyl-2-sulfanylidene-1,3-dioxan-5-yl)methyl benzoate
CID 86212389
[(2R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
CID 143933599
[(4S)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
CID 67001670
1-(benzoyloxymethyl)cyclopropane-1-carboxylic acid
CID 174589063
(1-methylcyclopropyl)methyl benzoate
CID 10465127
[5-(4-chlorophenyl)-6-oxo-2,3-dihydropyran-3-yl]methyl benzoate
CID 52942480
(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl benzoate
CID 163980482
3-phenylpropyl 4-chlorobenzoate
CID 576426
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
[2-(hydroxymethyl)-1,3-dioxan-2-yl]methyl benzoate
CID 59792406
(8,9-dibenzoyloxy-2,3-dioxo-6-oxa-1,4-diazaspiro[4.4]nonan-7-yl)methyl benzoate
CID 134847513

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate?
The IUPAC name of [4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate (CID 102224412) is [4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate.
What is the SMILES notation for [4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate?
The canonical SMILES for [4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate is O=C1NC(COC(=O)c2ccccc2)(c2ccc(Cl)cc2)CO1.
What is the InChIKey of [4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate?
The InChIKey is REAQDDDXTNOBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c18-14-8-6-13(7-9-14)17(11-23-16(21)19-17)10-22-15(20)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21).
What are the key properties of [4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate?
[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate has a molecular weight of 331.75 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate is sourced from PubChem (CID 102224412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).