(4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one

C20H15FN2O2 — CID 69281904

IUPAC(4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cc(-c3ccccc3)ccn2)[C@H](c2ccc(F)cc2)O1
InChIInChI=1S/C20H15FN2O2/c21-16-8-6-14(7-9-16)19-18(23-20(24)25-19)17-12-15(10-11-22-17)13-4-2-1-3-5-13/h1-12,18-19H,(H,23,24)/t18-,19-/m0/s1
InChIKeyIFYPGHKKVZOUDF-OALUTQOASA-N
MW334.35 g/mol
LogP4.41
Rot. Bonds3

About (4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one

(4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one (PubChem CID 69281904) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is (4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one
PubChem CID69281904
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name(4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cc(-c3ccccc3)ccn2)[C@H](c2ccc(F)cc2)O1
InChIInChI=1S/C20H15FN2O2/c21-16-8-6-14(7-9-16)19-18(23-20(24)25-19)17-12-15(10-11-22-17)13-4-2-1-3-5-13/h1-12,18-19H,(H,23,24)/t18-,19-/m0/s1
InChIKeyIFYPGHKKVZOUDF-OALUTQOASA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-5-(3-Fluorophenyl)-4-(5-(phenylethynyl)pyridin-3-yl)oxazolidin-2-one
CID 69081596
(4R,5R)-5-(4-fluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69085788
(4R,5R)-5-phenyl-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69092896
(4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093997
3-Hexanol derivative, 4
CID 57340693
(4R,5R)-5-(2,5-difluorophenyl)-4-(5-(phenylethynyl)pyridin-3-yl)oxazolidin-2-one
CID 57330204
(4R,5R)-5-(4-fluorophenyl)-4-[5-[2-(5-fluoro-3-pyridinyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69084420
(4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 69086317
(4R,5R)-5-(2,3-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093210
(4R,5R)-5-Phenyl-4-(2-(phenylethynyl)pyridin-4-yl)oxazolidin-2-one
CID 69093438
(4R,5R)-5-(4-fluorophenyl)-4-[5-(2-pyridin-4-ylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093459
(4R,5R)-5-(4-fluorophenyl)-4-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093544

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one (CID 69281904) is (4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cc(-c3ccccc3)ccn2)[C@H](c2ccc(F)cc2)O1.
What is the InChIKey of (4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one?
The InChIKey is IFYPGHKKVZOUDF-OALUTQOASA-N. The full InChI is InChI=1S/C20H15FN2O2/c21-16-8-6-14(7-9-16)19-18(23-20(24)25-19)17-12-15(10-11-22-17)13-4-2-1-3-5-13/h1-12,18-19H,(H,23,24)/t18-,19-/m0/s1.
What are the key properties of (4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one?
(4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one has a molecular weight of 334.35 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69281904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).