ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate

C17H18N2O5 — CID 72671271

IUPACethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESCCOC(=O)C(CC(=O)N1CCOC1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2O5/c1-2-23-16(21)12(9-15(20)19-7-8-24-17(19)22)13-10-18-14-6-4-3-5-11(13)14/h3-6,10,12,18H,2,7-9H2,1H3
InChIKeyVJUYCYSVWGWVTI-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.18
Rot. Bonds5

About ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate

ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate (PubChem CID 72671271) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
PubChem CID72671271
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Nameethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESCCOC(=O)C(CC(=O)N1CCOC1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2O5/c1-2-23-16(21)12(9-15(20)19-7-8-24-17(19)22)13-10-18-14-6-4-3-5-11(13)14/h3-6,10,12,18H,2,7-9H2,1H3
InChIKeyVJUYCYSVWGWVTI-UHFFFAOYSA-N
XLogP2.18
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one
CID 102037728
ethyl 2-(1H-indol-3-yl)-4-oxobutanoate
CID 75252498
ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 101139378
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 102477685
ethyl (2R,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
CID 14735622
ethyl 4-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate
CID 93122139
ethyl 3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate
CID 4527747
chloro 2-(1H-indol-3-yl)butanoate
CID 174769517
ethyl 2-(1H-indol-3-yl)-2-(4-piperazin-1-ylphenyl)acetate
CID 156772148
diethyl 2-[(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]propanedioate
CID 40525406
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The IUPAC name of ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate (CID 72671271) is ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate.
What is the SMILES notation for ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The canonical SMILES for ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate is CCOC(=O)C(CC(=O)N1CCOC1=O)c1c[nH]c2ccccc12.
What is the InChIKey of ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The InChIKey is VJUYCYSVWGWVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-2-23-16(21)12(9-15(20)19-7-8-24-17(19)22)13-10-18-14-6-4-3-5-11(13)14/h3-6,10,12,18H,2,7-9H2,1H3.
What are the key properties of ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate has a molecular weight of 330.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate is sourced from PubChem (CID 72671271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).