(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid

C13H15F2NO4 — CID 134567496

IUPAC(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid
SMILESCOCCN1C[C@@H](C(=O)O)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C13H15F2NO4/c1-19-5-4-16-7-9(13(17)18)12(20-16)8-2-3-10(14)11(15)6-8/h2-3,6,9,12H,4-5,7H2,1H3,(H,17,18)/t9-,12+/m1/s1
InChIKeyXAUSIQLWXDTYEX-SKDRFNHKSA-N
MW287.26 g/mol
LogP1.60
Rot. Bonds5

About (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid

(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid (PubChem CID 134567496) has the molecular formula C13H15F2NO4 and a molecular weight of 287.26 g/mol. Its IUPAC name is (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid
PubChem CID134567496
Molecular FormulaC13H15F2NO4
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC Name(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid
SMILESCOCCN1C[C@@H](C(=O)O)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C13H15F2NO4/c1-19-5-4-16-7-9(13(17)18)12(20-16)8-2-3-10(14)11(15)6-8/h2-3,6,9,12H,4-5,7H2,1H3,(H,17,18)/t9-,12+/m1/s1
InChIKeyXAUSIQLWXDTYEX-SKDRFNHKSA-N
XLogP1.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
CID 134567704
1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(4,5-dimethyl-2-phenylpyrazol-3-yl)urea
CID 135226429
4-(3,4-difluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 134162457
1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 135230308
(3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 71040970
5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylic acid
CID 135226305
1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea
CID 135230467
(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine
CID 145228452
1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[3-[4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]phenyl]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 135226363
5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
CID 135230316
1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[3-(1,2-dimethyl-3-oxopyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 135226303
1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methyltriazolo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea
CID 135230679

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid?
The IUPAC name of (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid (CID 134567496) is (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid is COCCN1C[C@@H](C(=O)O)[C@H](c2ccc(F)c(F)c2)O1.
What is the InChIKey of (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid?
The InChIKey is XAUSIQLWXDTYEX-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H15F2NO4/c1-19-5-4-16-7-9(13(17)18)12(20-16)8-2-3-10(14)11(15)6-8/h2-3,6,9,12H,4-5,7H2,1H3,(H,17,18)/t9-,12+/m1/s1.
What are the key properties of (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid?
(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid has a molecular weight of 287.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 134567496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).