3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane

C23H25F4NO3 — CID 156895553

IUPAC3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane
SMILESCC(C)C.O=C(CC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1)N1CCOC1=O
InChIInChI=1S/C19H15F4NO3.C4H10/c20-15-7-3-13(4-8-15)16(11-17(25)24-9-10-27-18(24)26)12-1-5-14(6-2-12)19(21,22)23;1-4(2)3/h1-8,16H,9-11H2;4H,1-3H3
InChIKeyDDXUSHNGGRXDHT-UHFFFAOYSA-N
MW439.45 g/mol
LogP6.01
Rot. Bonds4

About 3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane

3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane (PubChem CID 156895553) has the molecular formula C23H25F4NO3 and a molecular weight of 439.45 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane
PubChem CID156895553
Molecular FormulaC23H25F4NO3
Molecular Weight439.45 g/mol
Exact Mass439.18
IUPAC Name3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane
SMILESCC(C)C.O=C(CC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1)N1CCOC1=O
InChIInChI=1S/C19H15F4NO3.C4H10/c20-15-7-3-13(4-8-15)16(11-17(25)24-9-10-27-18(24)26)12-1-5-14(6-2-12)19(21,22)23;1-4(2)3/h1-8,16H,9-11H2;4H,1-3H3
InChIKeyDDXUSHNGGRXDHT-UHFFFAOYSA-N
XLogP6.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.45
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane with MolForge

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Related Compounds

3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-(3-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141223
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
3-[6-[4-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145970283
3-[4-(4-Fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one
CID 155528007
3-[4-(3-Fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one
CID 155536576
3-[4-(2-Fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one
CID 155558520
3-[6-(6-Fluoronaphthalen-2-yl)hexanoyl]-1,3-oxazolidin-2-one
CID 132155638
3-(6-Naphthalen-2-ylhexanoyl)-1,3-oxazolidin-2-one
CID 132141179

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane?
The IUPAC name of 3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane (CID 156895553) is 3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane?
The canonical SMILES for 3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane is CC(C)C.O=C(CC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1)N1CCOC1=O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane?
The InChIKey is DDXUSHNGGRXDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4NO3.C4H10/c20-15-7-3-13(4-8-15)16(11-17(25)24-9-10-27-18(24)26)12-1-5-14(6-2-12)19(21,22)23;1-4(2)3/h1-8,16H,9-11H2;4H,1-3H3.
What are the key properties of 3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane?
3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane has a molecular weight of 439.45 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one;2-methylpropane is sourced from PubChem (CID 156895553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).