N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide

C19H15F3N2O5 — CID 16921978

IUPACN-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O5/c20-19(21,22)14-4-2-1-3-13(14)17(25)23-8-12-9-24(18(26)29-12)11-5-6-15-16(7-11)28-10-27-15/h1-7,12H,8-10H2,(H,23,25)
InChIKeyGNFZOQTXYDWBHA-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.19
Rot. Bonds4

About N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide

N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 16921978) has the molecular formula C19H15F3N2O5 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID16921978
Molecular FormulaC19H15F3N2O5
Molecular Weight408.33 g/mol
Exact Mass408.09
IUPAC NameN-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O5/c20-19(21,22)14-4-2-1-3-13(14)17(25)23-8-12-9-24(18(26)29-12)11-5-6-15-16(7-11)28-10-27-15/h1-7,12H,8-10H2,(H,23,25)
InChIKeyGNFZOQTXYDWBHA-UHFFFAOYSA-N
XLogP3.19
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide
CID 40940886
N-[[(5S)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide
CID 40940887
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzamide
CID 110328016
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 16921039
2-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920439
N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 16921998
N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110328384
2-methoxy-N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110328391
2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327764
1-[[(5S)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 51446275
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40897867
2-chloro-N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327680

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide (CID 16921978) is N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide is O=C(NCC1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is GNFZOQTXYDWBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O5/c20-19(21,22)14-4-2-1-3-13(14)17(25)23-8-12-9-24(18(26)29-12)11-5-6-15-16(7-11)28-10-27-15/h1-7,12H,8-10H2,(H,23,25).
What are the key properties of N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide?
N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 408.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16921978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).