3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one

C18H15F2NO3 — CID 154927144

IUPAC3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(C[C@H](c1ccc(F)cc1)c1cccc(F)c1)N1CCOC1=O
InChIInChI=1S/C18H15F2NO3/c19-14-6-4-12(5-7-14)16(13-2-1-3-15(20)10-13)11-17(22)21-8-9-24-18(21)23/h1-7,10,16H,8-9,11H2/t16-/m1/s1
InChIKeyLCOIVYYGLSEXBS-MRXNPFEDSA-N
MW331.32 g/mol
LogP3.47
Rot. Bonds4

About 3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 154927144) has the molecular formula C18H15F2NO3 and a molecular weight of 331.32 g/mol. Its IUPAC name is 3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID154927144
Molecular FormulaC18H15F2NO3
Molecular Weight331.32 g/mol
Exact Mass331.10
IUPAC Name3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(C[C@H](c1ccc(F)cc1)c1cccc(F)c1)N1CCOC1=O
InChIInChI=1S/C18H15F2NO3/c19-14-6-4-12(5-7-14)16(13-2-1-3-15(20)10-13)11-17(22)21-8-9-24-18(21)23/h1-7,10,16H,8-9,11H2/t16-/m1/s1
InChIKeyLCOIVYYGLSEXBS-MRXNPFEDSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one (CID 154927144) is 3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one is O=C(C[C@H](c1ccc(F)cc1)c1cccc(F)c1)N1CCOC1=O.
What is the InChIKey of 3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is LCOIVYYGLSEXBS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15F2NO3/c19-14-6-4-12(5-7-14)16(13-2-1-3-15(20)10-13)11-17(22)21-8-9-24-18(21)23/h1-7,10,16H,8-9,11H2/t16-/m1/s1.
What are the key properties of 3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 331.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154927144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).