ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate

C20H27N3O4 — CID 10547362

IUPACethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(CCC3COC(=O)N3)cc2c1CCN(C)C
InChIInChI=1S/C20H27N3O4/c1-4-26-19(24)18-15(9-10-23(2)3)16-11-13(6-8-17(16)22-18)5-7-14-12-27-20(25)21-14/h6,8,11,14,22H,4-5,7,9-10,12H2,1-3H3,(H,21,25)
InChIKeyDZFQSBDQYGMWJX-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.49
Rot. Bonds8

About ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate

ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate (PubChem CID 10547362) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate
PubChem CID10547362
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Nameethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(CCC3COC(=O)N3)cc2c1CCN(C)C
InChIInChI=1S/C20H27N3O4/c1-4-26-19(24)18-15(9-10-23(2)3)16-11-13(6-8-17(16)22-18)5-7-14-12-27-20(25)21-14/h6,8,11,14,22H,4-5,7,9-10,12H2,1-3H3,(H,21,25)
InChIKeyDZFQSBDQYGMWJX-UHFFFAOYSA-N
XLogP2.49
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate (CID 10547362) is ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(CCC3COC(=O)N3)cc2c1CCN(C)C.
What is the InChIKey of ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate?
The InChIKey is DZFQSBDQYGMWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-4-26-19(24)18-15(9-10-23(2)3)16-11-13(6-8-17(16)22-18)5-7-14-12-27-20(25)21-14/h6,8,11,14,22H,4-5,7,9-10,12H2,1-3H3,(H,21,25).
What are the key properties of ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate?
ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(dimethylamino)ethyl]-5-[2-(2-oxo-1,3-oxazolidin-4-yl)ethyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 10547362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).