methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate

C14H17F2NO4 — CID 145228926

IUPACmethyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate
SMILESCOCCN1C[C@@H](C(=O)OC)C(c2ccc(F)c(F)c2)O1
InChIInChI=1S/C14H17F2NO4/c1-19-6-5-17-8-10(14(18)20-2)13(21-17)9-3-4-11(15)12(16)7-9/h3-4,7,10,13H,5-6,8H2,1-2H3/t10-,13?/m1/s1
InChIKeyBIHFLJDSTHKWRN-VUUHIHSGSA-N
MW301.29 g/mol
LogP1.69
Rot. Bonds5

About methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate

methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate (PubChem CID 145228926) has the molecular formula C14H17F2NO4 and a molecular weight of 301.29 g/mol. Its IUPAC name is methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate
PubChem CID145228926
Molecular FormulaC14H17F2NO4
Molecular Weight301.29 g/mol
Exact Mass301.11
IUPAC Namemethyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate
SMILESCOCCN1C[C@@H](C(=O)OC)C(c2ccc(F)c(F)c2)O1
InChIInChI=1S/C14H17F2NO4/c1-19-6-5-17-8-10(14(18)20-2)13(21-17)9-3-4-11(15)12(16)7-9/h3-4,7,10,13H,5-6,8H2,1-2H3/t10-,13?/m1/s1
InChIKeyBIHFLJDSTHKWRN-VUUHIHSGSA-N
XLogP1.69
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R,3S)-3-[bis(4-fluorophenyl)methoxy]-2-[(5S)-1,5-dimethylpyrrolidin-2-yl]butanoate
CID 71211525
(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid
CID 134567496
methyl (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate
CID 134567498
(4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
CID 134567704
(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
CID 135226208
(4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
CID 145228461
(4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine
CID 145228708
(4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid
CID 145228910
methyl (3S,4R,5E)-5-(2-methoxy-2-oxoethylidene)-3-[(S)-methoxy(phenyl)methyl]-2-methyl-1,2-oxazolidine-4-carboxylate
CID 134998633
3-Phenyl-5,5-di(methoxycarbonyl)-N-methylisoxazolidine
CID 613303
Trimethyl 2-methyl-5-phenyl-3,3,4-isoxazolidinetricarboxylate
CID 91740550
benzyl (2R,3R)-3-[(2S)-1-hydroxypyrrolidin-2-yl]-3-methoxy-2-methylpropanoate
CID 170255663

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate (CID 145228926) is methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate is COCCN1C[C@@H](C(=O)OC)C(c2ccc(F)c(F)c2)O1.
What is the InChIKey of methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate?
The InChIKey is BIHFLJDSTHKWRN-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H17F2NO4/c1-19-6-5-17-8-10(14(18)20-2)13(21-17)9-3-4-11(15)12(16)7-9/h3-4,7,10,13H,5-6,8H2,1-2H3/t10-,13?/m1/s1.
What are the key properties of methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate?
methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate has a molecular weight of 301.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 145228926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).