(5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one

C17H15FN2O4 — CID 157350921

IUPAC(5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1CN(c2ccc(-c3cccc([N+](=O)[O-])c3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H15FN2O4/c1-2-14-10-19(17(21)24-14)12-6-7-15(16(18)9-12)11-4-3-5-13(8-11)20(22)23/h3-9,14H,2,10H2,1H3/t14-/m0/s1
InChIKeyPBVXMIPCNSXXHF-AWEZNQCLSA-N
MW330.32 g/mol
LogP4.14
Rot. Bonds4

About (5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one

(5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 157350921) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID157350921
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name(5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1CN(c2ccc(-c3cccc([N+](=O)[O-])c3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H15FN2O4/c1-2-14-10-19(17(21)24-14)12-6-7-15(16(18)9-12)11-4-3-5-13(8-11)20(22)23/h3-9,14H,2,10H2,1H3/t14-/m0/s1
InChIKeyPBVXMIPCNSXXHF-AWEZNQCLSA-N
XLogP4.14
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide
CID 158139593
(5S)-5-ethyl-3-[3-fluoro-4-[4-(methylsulfonylmethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 157350922
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
(5S)-3-[4-[4-(azidomethyl)phenyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 58045372
fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide
CID 142436836
5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 160984444
(5S)-5-ethyl-3-[3-fluoro-4-[2-(1-methylpyrazol-3-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one
CID 90363165
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(furan-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 129070942

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one (CID 157350921) is (5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one is CC[C@H]1CN(c2ccc(-c3cccc([N+](=O)[O-])c3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is PBVXMIPCNSXXHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-2-14-10-19(17(21)24-14)12-6-7-15(16(18)9-12)11-4-3-5-13(8-11)20(22)23/h3-9,14H,2,10H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one?
(5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 330.32 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 157350921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).