(5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one

C19H18FNO2 — CID 122400818

IUPAC(5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one
SMILESCC(C)[C@@]1(Cc2ccccc2)OC(c2cccc(F)c2)=NC1=O
InChIInChI=1S/C19H18FNO2/c1-13(2)19(12-14-7-4-3-5-8-14)18(22)21-17(23-19)15-9-6-10-16(20)11-15/h3-11,13H,12H2,1-2H3/t19-/m1/s1
InChIKeyNYIZONUIBAGQGH-LJQANCHMSA-N
MW311.36 g/mol
LogP3.77
Rot. Bonds4

About (5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one

(5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one (PubChem CID 122400818) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one
PubChem CID122400818
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one
SMILESCC(C)[C@@]1(Cc2ccccc2)OC(c2cccc(F)c2)=NC1=O
InChIInChI=1S/C19H18FNO2/c1-13(2)19(12-14-7-4-3-5-8-14)18(22)21-17(23-19)15-9-6-10-16(20)11-15/h3-11,13H,12H2,1-2H3/t19-/m1/s1
InChIKeyNYIZONUIBAGQGH-LJQANCHMSA-N
XLogP3.77
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one?
The IUPAC name of (5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one (CID 122400818) is (5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one is CC(C)[C@@]1(Cc2ccccc2)OC(c2cccc(F)c2)=NC1=O.
What is the InChIKey of (5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one?
The InChIKey is NYIZONUIBAGQGH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-13(2)19(12-14-7-4-3-5-8-14)18(22)21-17(23-19)15-9-6-10-16(20)11-15/h3-11,13H,12H2,1-2H3/t19-/m1/s1.
What are the key properties of (5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one?
(5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one has a molecular weight of 311.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one is sourced from PubChem (CID 122400818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).