butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate

C17H18F2N2O5 — CID 11360639

IUPACbutyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESCCCCOC(=O)[C@H]1CN(c2ccc3c(c2)C(F)(F)C(=O)N3C)C(=O)O1
InChIInChI=1S/C17H18F2N2O5/c1-3-4-7-25-14(22)13-9-21(16(24)26-13)10-5-6-12-11(8-10)17(18,19)15(23)20(12)2/h5-6,8,13H,3-4,7,9H2,1-2H3/t13-/m1/s1
InChIKeyZFGNSEPCIYIKCL-CYBMUJFWSA-N
MW368.34 g/mol
LogP2.42
Rot. Bonds5

About butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate

butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate (PubChem CID 11360639) has the molecular formula C17H18F2N2O5 and a molecular weight of 368.34 g/mol. Its IUPAC name is butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namebutyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate
PubChem CID11360639
Molecular FormulaC17H18F2N2O5
Molecular Weight368.34 g/mol
Exact Mass368.12
IUPAC Namebutyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESCCCCOC(=O)[C@H]1CN(c2ccc3c(c2)C(F)(F)C(=O)N3C)C(=O)O1
InChIInChI=1S/C17H18F2N2O5/c1-3-4-7-25-14(22)13-9-21(16(24)26-13)10-5-6-12-11(8-10)17(18,19)15(23)20(12)2/h5-6,8,13H,3-4,7,9H2,1-2H3/t13-/m1/s1
InChIKeyZFGNSEPCIYIKCL-CYBMUJFWSA-N
XLogP2.42
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

7ZX8889Bhs
CID 11609163
ethyl 2-(5-amino-3,3-difluoro-2-oxo-2,3-dihydro-1H-indol-1-yl)acetate
CID 119053189
N-(1-ethyl-2-oxoindolin-5-yl)tetrahydrofuran-2-carboxamide
CID 44010074
(2S)-N-(1-ethyl-2-oxo-3H-indol-5-yl)oxolane-2-carboxamide
CID 40805057
N-[[(5S)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 9884308
(5R)-3-(7-fluoro-1-isopropyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-2-oxo-oxazolidine-5-carboxylic acid amide
CID 11522634
(5R)-3-(7-fluoro-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-2-oxo-oxazolidine-5-carboxylic acid amide
CID 11536643
(R)-3-(7-fluoro-2-oxo-1-propyl-2,3-dihydro-1H-indol-5-yl)-2-oxo-oxazolidine-5-carboxylic acid amide
CID 11609459
(5R)-3-[1-(3-fluoropropyl)-2-oxo-3H-indol-5-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 11645706
(R)-3-[1-(2-fluoro-1-methyl-ethyl)-2-oxo-2,3-dihydro-1H-indol-5-yl]-2-oxo-oxazolidine-5-carboxylic acid amide
CID 11666912
(5R)-3-[1-(2-fluoro-ethyl)-2-oxo-2,3-dihydro-1H-indol-5-yl]-2-oxo-oxazolidine-5-carboxylic acid amide
CID 11695219
butyl (5R)-3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate
CID 11749371

Frequently Asked Questions

What is the IUPAC name of butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate?
The IUPAC name of butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate (CID 11360639) is butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate is CCCCOC(=O)[C@H]1CN(c2ccc3c(c2)C(F)(F)C(=O)N3C)C(=O)O1.
What is the InChIKey of butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate?
The InChIKey is ZFGNSEPCIYIKCL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18F2N2O5/c1-3-4-7-25-14(22)13-9-21(16(24)26-13)10-5-6-12-11(8-10)17(18,19)15(23)20(12)2/h5-6,8,13H,3-4,7,9H2,1-2H3/t13-/m1/s1.
What are the key properties of butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate?
butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate has a molecular weight of 368.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (5R)-3-(3,3-difluoro-1-methyl-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 11360639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).