5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate

C14H17ClFNO5 — CID 121351579

IUPAC5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate
SMILESCCOC(C)=O.O=C1OC(CCl)CN1c1ccc(O)c(F)c1
InChIInChI=1S/C10H9ClFNO3.C4H8O2/c11-4-7-5-13(10(15)16-7)6-1-2-9(14)8(12)3-6;1-3-6-4(2)5/h1-3,7,14H,4-5H2;3H2,1-2H3
InChIKeyWXBMMEGKRZTMGJ-UHFFFAOYSA-N
MW333.74 g/mol
LogP2.66
Rot. Bonds3

About 5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate

5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate (PubChem CID 121351579) has the molecular formula C14H17ClFNO5 and a molecular weight of 333.74 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate.

Molecular Properties

Compound Name5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate
PubChem CID121351579
Molecular FormulaC14H17ClFNO5
Molecular Weight333.74 g/mol
Exact Mass333.08
IUPAC Name5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate
SMILESCCOC(C)=O.O=C1OC(CCl)CN1c1ccc(O)c(F)c1
InChIInChI=1S/C10H9ClFNO3.C4H8O2/c11-4-7-5-13(10(15)16-7)6-1-2-9(14)8(12)3-6;1-3-6-4(2)5/h1-3,7,14H,4-5H2;3H2,1-2H3
InChIKeyWXBMMEGKRZTMGJ-UHFFFAOYSA-N
XLogP2.66
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
CID 139974744
ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate
CID 123210106
(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 51893633
ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate
CID 143435103
(5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one
CID 121356776
2-fluoro-4-[(5S)-2-oxo-5-(2-oxopropyl)-1,3-oxazolidin-3-yl]benzohydrazide
CID 59905865
ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate
CID 70195667
[(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
CID 59749419
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate?
The IUPAC name of 5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate (CID 121351579) is 5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate.
What is the SMILES notation for 5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate?
The canonical SMILES for 5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate is CCOC(C)=O.O=C1OC(CCl)CN1c1ccc(O)c(F)c1.
What is the InChIKey of 5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate?
The InChIKey is WXBMMEGKRZTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO3.C4H8O2/c11-4-7-5-13(10(15)16-7)6-1-2-9(14)8(12)3-6;1-3-6-4(2)5/h1-3,7,14H,4-5H2;3H2,1-2H3.
What are the key properties of 5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate?
5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate has a molecular weight of 333.74 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate is sourced from PubChem (CID 121351579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).