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

C18H14FNO2 — CID 134841751

IUPAC(4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1C#Cc1ccc(F)cc1
InChIInChI=1S/C18H14FNO2/c19-16-8-6-14(7-9-16)10-11-20-17(13-22-18(20)21)12-15-4-2-1-3-5-15/h1-9,17H,12-13H2/t17-/m1/s1
InChIKeyVVQQLTQXQQDTJZ-QGZVFWFLSA-N
MW295.31 g/mol
LogP3.20
Rot. Bonds2

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

(4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one (PubChem CID 134841751) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one
PubChem CID134841751
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name(4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1C#Cc1ccc(F)cc1
InChIInChI=1S/C18H14FNO2/c19-16-8-6-14(7-9-16)10-11-20-17(13-22-18(20)21)12-15-4-2-1-3-5-15/h1-9,17H,12-13H2/t17-/m1/s1
InChIKeyVVQQLTQXQQDTJZ-QGZVFWFLSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-benzyl-3-[2-(4-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one
CID 122222020
(4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one
CID 166518455
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 22228455
(4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
CID 102038660
(4S)-4-benzyl-3-prop-2-ynoyl-1,3-oxazolidin-2-one
CID 135041190
(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
CID 10774601
(4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one
CID 15668312
(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-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid
CID 167582466
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one (CID 134841751) is (4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one is O=C1OC[C@@H](Cc2ccccc2)N1C#Cc1ccc(F)cc1.
What is the InChIKey of (4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one?
The InChIKey is VVQQLTQXQQDTJZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14FNO2/c19-16-8-6-14(7-9-16)10-11-20-17(13-22-18(20)21)12-15-4-2-1-3-5-15/h1-9,17H,12-13H2/t17-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one has a molecular weight of 295.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134841751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).