(4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one

C19H18FNO2 — CID 166518455

IUPAC(4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1C/C=C/c1ccc(F)cc1
InChIInChI=1S/C19H18FNO2/c20-17-10-8-15(9-11-17)7-4-12-21-18(14-23-19(21)22)13-16-5-2-1-3-6-16/h1-11,18H,12-14H2/b7-4+/t18-/m1/s1
InChIKeyLUGCFJWXGARWGH-WEBJUUICSA-N
MW311.36 g/mol
LogP3.90
Rot. Bonds5

About (4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 166518455) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one
PubChem CID166518455
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1C/C=C/c1ccc(F)cc1
InChIInChI=1S/C19H18FNO2/c20-17-10-8-15(9-11-17)7-4-12-21-18(14-23-19(21)22)13-16-5-2-1-3-6-16/h1-11,18H,12-14H2/b7-4+/t18-/m1/s1
InChIKeyLUGCFJWXGARWGH-WEBJUUICSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 22228455
(4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 26790195
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
(4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one
CID 134841751
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4S)-4-benzyl-3-[(E)-4,4,4-trifluoro-3-(4-fluorophenyl)but-2-enoyl]-1,3-oxazolidin-2-one
CID 68726541
(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
CID 10774601
(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
CID 150010367
(4S)-4-benzyl-3-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]-1,3-oxazolidin-2-one
CID 102021010
(4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67259947
(4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one (CID 166518455) is (4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one is O=C1OC[C@@H](Cc2ccccc2)N1C/C=C/c1ccc(F)cc1.
What is the InChIKey of (4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is LUGCFJWXGARWGH-WEBJUUICSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-17-10-8-15(9-11-17)7-4-12-21-18(14-23-19(21)22)13-16-5-2-1-3-6-16/h1-11,18H,12-14H2/b7-4+/t18-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 311.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166518455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).