(4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one

C19H18FNO5 — CID 122619961

IUPAC(4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H](CO)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1F
InChIInChI=1S/C19H18FNO5/c1-25-17-8-7-13(9-15(17)20)14(10-22)18(23)21-16(11-26-19(21)24)12-5-3-2-4-6-12/h2-9,14,16,22H,10-11H2,1H3/t14-,16+/m1/s1
InChIKeyOXERXZRQPMRFBI-ZBFHGGJFSA-N
MW359.35 g/mol
LogP2.63
Rot. Bonds5

About (4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 122619961) has the molecular formula C19H18FNO5 and a molecular weight of 359.35 g/mol. Its IUPAC name is (4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID122619961
Molecular FormulaC19H18FNO5
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name(4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H](CO)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1F
InChIInChI=1S/C19H18FNO5/c1-25-17-8-7-13(9-15(17)20)14(10-22)18(23)21-16(11-26-19(21)24)12-5-3-2-4-6-12/h2-9,14,16,22H,10-11H2,1H3/t14-,16+/m1/s1
InChIKeyOXERXZRQPMRFBI-ZBFHGGJFSA-N
XLogP2.63
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 122619961) is (4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one is COc1ccc([C@@H](CO)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1F.
What is the InChIKey of (4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is OXERXZRQPMRFBI-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H18FNO5/c1-25-17-8-7-13(9-15(17)20)14(10-22)18(23)21-16(11-26-19(21)24)12-5-3-2-4-6-12/h2-9,14,16,22H,10-11H2,1H3/t14-,16+/m1/s1.
What are the key properties of (4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 359.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 122619961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).