6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide

C21H21N3O4 — CID 55933092

IUPAC6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)NCc3cccc(N4CCOC4=O)c3)[nH]c2c1
InChIInChI=1S/C21H21N3O4/c1-2-27-17-7-6-15-11-19(23-18(15)12-17)20(25)22-13-14-4-3-5-16(10-14)24-8-9-28-21(24)26/h3-7,10-12,23H,2,8-9,13H2,1H3,(H,22,25)
InChIKeyYLSTVNIONQCSLP-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.45
Rot. Bonds6

About 6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide

6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 55933092) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID55933092
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)NCc3cccc(N4CCOC4=O)c3)[nH]c2c1
InChIInChI=1S/C21H21N3O4/c1-2-27-17-7-6-15-11-19(23-18(15)12-17)20(25)22-13-14-4-3-5-16(10-14)24-8-9-28-21(24)26/h3-7,10-12,23H,2,8-9,13H2,1H3,(H,22,25)
InChIKeyYLSTVNIONQCSLP-UHFFFAOYSA-N
XLogP3.45
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide (CID 55933092) is 6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)NCc3cccc(N4CCOC4=O)c3)[nH]c2c1.
What is the InChIKey of 6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is YLSTVNIONQCSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-2-27-17-7-6-15-11-19(23-18(15)12-17)20(25)22-13-14-4-3-5-16(10-14)24-8-9-28-21(24)26/h3-7,10-12,23H,2,8-9,13H2,1H3,(H,22,25).
What are the key properties of 6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide?
6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55933092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).