N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

C21H20FN3O3 — CID 70782520

IUPACN-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)CN3CCOC3=O)cc12
InChIInChI=1S/C21H20FN3O3/c1-13-17-10-14(11-23-19(26)12-25-8-9-28-21(25)27)2-7-18(17)24-20(13)15-3-5-16(22)6-4-15/h2-7,10,24H,8-9,11-12H2,1H3,(H,23,26)
InChIKeyLBBTYVBFORVQBU-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.35
Rot. Bonds5

About N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (PubChem CID 70782520) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
PubChem CID70782520
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)CN3CCOC3=O)cc12
InChIInChI=1S/C21H20FN3O3/c1-13-17-10-14(11-23-19(26)12-25-8-9-28-21(25)27)2-7-18(17)24-20(13)15-3-5-16(22)6-4-15/h2-7,10,24H,8-9,11-12H2,1H3,(H,23,26)
InChIKeyLBBTYVBFORVQBU-UHFFFAOYSA-N
XLogP3.35
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The IUPAC name of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (CID 70782520) is N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The canonical SMILES for N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)CN3CCOC3=O)cc12.
What is the InChIKey of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The InChIKey is LBBTYVBFORVQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-13-17-10-14(11-23-19(26)12-25-8-9-28-21(25)27)2-7-18(17)24-20(13)15-3-5-16(22)6-4-15/h2-7,10,24H,8-9,11-12H2,1H3,(H,23,26).
What are the key properties of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide has a molecular weight of 381.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is sourced from PubChem (CID 70782520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).