4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide

C18H16F3N3O3 — CID 10172668

IUPAC4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(COc3cccc(C(F)(F)F)c3)OC2=O)cc1
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)12-2-1-3-14(8-12)26-10-15-9-24(17(25)27-15)13-6-4-11(5-7-13)16(22)23/h1-8,15H,9-10H2,(H3,22,23)
InChIKeyZCBPQOGESARHNR-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.39
Rot. Bonds5

About 4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide

4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide (PubChem CID 10172668) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
PubChem CID10172668
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(COc3cccc(C(F)(F)F)c3)OC2=O)cc1
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)12-2-1-3-14(8-12)26-10-15-9-24(17(25)27-15)13-6-4-11(5-7-13)16(22)23/h1-8,15H,9-10H2,(H3,22,23)
InChIKeyZCBPQOGESARHNR-UHFFFAOYSA-N
XLogP3.39
TPSA88.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Phenyl-5-(p-tolyloxymethyl)oxazolidin-2-one
CID 46887320
5-((3-Ethylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887322
3-Phenyl-5-((4-(trifluoromethyl)phenoxy)methyl)oxazolidin-2-one
CID 46887418
5-((3-Isopropylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887369
3-Phenyl-5-(m-tolyloxymethyl)oxazolidin-2-one
CID 46887319
3-Phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)oxazolidin-2-one
CID 46887460
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-(phenoxymethyl)oxazolidin-2-one
CID 497375
3-Phenyl-5-((2-(trifluoromethyl)phenoxy)methyl)oxazolidin-2-one
CID 46887459
1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-methyl-N-phenylcarbamate
CID 9799340
(2S,4R)-4-(3-carbamimidoylphenoxy)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 10111098
3-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-[(3-fluorophenyl)methyl]benzamide
CID 10195337
3-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 10218121

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide?
The IUPAC name of 4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide (CID 10172668) is 4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide?
The canonical SMILES for 4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(COc3cccc(C(F)(F)F)c3)OC2=O)cc1.
What is the InChIKey of 4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide?
The InChIKey is ZCBPQOGESARHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c19-18(20,21)12-2-1-3-14(8-12)26-10-15-9-24(17(25)27-15)13-6-4-11(5-7-13)16(22)23/h1-8,15H,9-10H2,(H3,22,23).
What are the key properties of 4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide?
4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide has a molecular weight of 379.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide is sourced from PubChem (CID 10172668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).