(4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one

C16H12FNO3 — CID 57333501

IUPAC(4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)O1
InChIInChI=1S/C16H12FNO3/c17-12-8-6-10(7-9-12)13-15(21-16(20)18-13)14(19)11-4-2-1-3-5-11/h1-9,13,15H,(H,18,20)/t13-,15+/m0/s1
InChIKeyYPTDTDMNCQDSEG-DZGCQCFKSA-N
MW285.27 g/mol
LogP2.86
Rot. Bonds3

About (4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one

(4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 57333501) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is (4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID57333501
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name(4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)O1
InChIInChI=1S/C16H12FNO3/c17-12-8-6-10(7-9-12)13-15(21-16(20)18-13)14(19)11-4-2-1-3-5-11/h1-9,13,15H,(H,18,20)/t13-,15+/m0/s1
InChIKeyYPTDTDMNCQDSEG-DZGCQCFKSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 57333457
4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione
CID 4743268
ethyl (4S,5S)-4-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
CID 101256670
[(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone
CID 25112566
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
N-(4-fluorophenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
CID 110689144
[(4R,5S,6S)-6-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-phenylmethanone
CID 7196774
(4S,5S)-5-(4-fluorophenyl)-4-(6-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one
CID 69281905
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
methyl 5-benzoyl-6-(4-fluorophenyl)-4-methoxy-2-sulfanylidene-1,3-diazinane-4-carboxylate
CID 146021073
(4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one
CID 69281904
[(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate
CID 11208708

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 57333501) is (4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)O1.
What is the InChIKey of (4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is YPTDTDMNCQDSEG-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-12-8-6-10(7-9-12)13-15(21-16(20)18-13)14(19)11-4-2-1-3-5-11/h1-9,13,15H,(H,18,20)/t13-,15+/m0/s1.
What are the key properties of (4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one?
(4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 285.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 57333501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).