(5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one

C15H16FN3O3S — CID 71201294

IUPAC(5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one
SMILES[H]/N=N/C[C@H]1CN(c2ccc(C3=CCS(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H16FN3O3S/c16-14-7-11(19-9-12(8-18-17)22-15(19)20)1-2-13(14)10-3-5-23(21)6-4-10/h1-3,7,12,17H,4-6,8-9H2/b18-17+/t12-,23?/m0/s1
InChIKeySDUPWEHIXKDROY-GOYAKBMCSA-N
MW337.38 g/mol
LogP2.72
Rot. Bonds4

About (5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one

(5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 71201294) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is (5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID71201294
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name(5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one
SMILES[H]/N=N/C[C@H]1CN(c2ccc(C3=CCS(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H16FN3O3S/c16-14-7-11(19-9-12(8-18-17)22-15(19)20)1-2-13(14)10-3-5-23(21)6-4-10/h1-3,7,12,17H,4-6,8-9H2/b18-17+/t12-,23?/m0/s1
InChIKeySDUPWEHIXKDROY-GOYAKBMCSA-N
XLogP2.72
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[3-fluoro-4-[(1S)-1-oxo-3,6-dihydro-2H-thiopyran-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57138415
(5R)-3-[3-fluoro-4-[(1R)-1-oxo-3,6-dihydro-2H-thiopyran-4-yl]phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 68878195
5-(aminomethyl)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one;methanamine
CID 142276629
3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one
CID 142879110
(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
N-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]acetamide
CID 10296532
3-[3-fluoro-4-(1-oxo-1,4-thiazepan-4-yl)phenyl]-5-(isothiocyanatomethyl)-1,3-oxazolidin-2-one
CID 22943614
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 58681137
N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10162427
N-[4-[2-fluoro-4-[(5S)-5-[2-(1,2-oxazol-3-yl)ethyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide
CID 10226661
(2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide
CID 142175980
[3-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 22625666

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one (CID 71201294) is (5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one is [H]/N=N/C[C@H]1CN(c2ccc(C3=CCS(=O)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is SDUPWEHIXKDROY-GOYAKBMCSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c16-14-7-11(19-9-12(8-18-17)22-15(19)20)1-2-13(14)10-3-5-23(21)6-4-10/h1-3,7,12,17H,4-6,8-9H2/b18-17+/t12-,23?/m0/s1.
What are the key properties of (5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(diazenylmethyl)-3-[3-fluoro-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71201294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).