(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one

C18H16FNO2 — CID 14919305

IUPAC(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1[C@H]1C[C@H]1F
InChIInChI=1S/C18H16FNO2/c19-14-11-15(14)20-16(12-7-3-1-4-8-12)17(22-18(20)21)13-9-5-2-6-10-13/h1-10,14-17H,11H2/t14-,15+,16-,17+/m1/s1
InChIKeyZYRCWHWUEGZFIV-TWMKSMIVSA-N
MW297.33 g/mol
LogP4.03
Rot. Bonds3

About (4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 14919305) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is (4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID14919305
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1[C@H]1C[C@H]1F
InChIInChI=1S/C18H16FNO2/c19-14-11-15(14)20-16(12-7-3-1-4-8-12)17(22-18(20)21)13-9-5-2-6-10-13/h1-10,14-17H,11H2/t14-,15+,16-,17+/m1/s1
InChIKeyZYRCWHWUEGZFIV-TWMKSMIVSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 42604161
(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101047352
(4R,5S)-3-[(1R,2R,3S)-3-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10813140
(4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101055653
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one
CID 54194620
(4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10499820
(4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101138120
methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 11442337
(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
CID 167005616
(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one
CID 101240736
3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one
CID 123354245

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 14919305) is (4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one is O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1[C@H]1C[C@H]1F.
What is the InChIKey of (4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is ZYRCWHWUEGZFIV-TWMKSMIVSA-N. The full InChI is InChI=1S/C18H16FNO2/c19-14-11-15(14)20-16(12-7-3-1-4-8-12)17(22-18(20)21)13-9-5-2-6-10-13/h1-10,14-17H,11H2/t14-,15+,16-,17+/m1/s1.
What are the key properties of (4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 297.33 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14919305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).