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

C18H16F3N3O4 — CID 10287442

IUPAC4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(COc3ccc(OC(F)(F)F)cc3)OC2=O)cc1
InChIInChI=1S/C18H16F3N3O4/c19-18(20,21)28-14-7-5-13(6-8-14)26-10-15-9-24(17(25)27-15)12-3-1-11(2-4-12)16(22)23/h1-8,15H,9-10H2,(H3,22,23)
InChIKeyBPSKVFKUIAXRPH-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.27
Rot. Bonds6

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

4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide (PubChem CID 10287442) has the molecular formula C18H16F3N3O4 and a molecular weight of 395.34 g/mol. Its IUPAC name is 4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
PubChem CID10287442
Molecular FormulaC18H16F3N3O4
Molecular Weight395.34 g/mol
Exact Mass395.11
IUPAC Name4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(COc3ccc(OC(F)(F)F)cc3)OC2=O)cc1
InChIInChI=1S/C18H16F3N3O4/c19-18(20,21)28-14-7-5-13(6-8-14)26-10-15-9-24(17(25)27-15)12-3-1-11(2-4-12)16(22)23/h1-8,15H,9-10H2,(H3,22,23)
InChIKeyBPSKVFKUIAXRPH-UHFFFAOYSA-N
XLogP3.27
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-((4-(trifluoromethyl)phenoxy)methyl)oxazolidin-2-one
CID 46887418
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
4-[2-Oxo-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 10172668
4-[2-Oxo-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 10237344
(5R)-5-(methoxymethyl)-3-[4-[(3R)-4,4,4-trifluoro-3-phenylmethoxybutoxy]phenyl]-1,3-oxazolidin-2-one
CID 53792448
5-[(4-Methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 57024512
3-Phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 59580218
5-[[4-Fluoro-3-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580224
5-[[3-Fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580282
3-[2-Oxo-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 69976369

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide?
The IUPAC name of 4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide (CID 10287442) is 4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide?
The canonical SMILES for 4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(COc3ccc(OC(F)(F)F)cc3)OC2=O)cc1.
What is the InChIKey of 4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide?
The InChIKey is BPSKVFKUIAXRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4/c19-18(20,21)28-14-7-5-13(6-8-14)26-10-15-9-24(17(25)27-15)12-3-1-11(2-4-12)16(22)23/h1-8,15H,9-10H2,(H3,22,23).
What are the key properties of 4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide?
4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide has a molecular weight of 395.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide is sourced from PubChem (CID 10287442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).