(5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

C12H10FN3O4S — CID 10215035

IUPAC(5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCn1c(=O)sc2cc(N3C[C@H](C(N)=O)OC3=O)cc(F)c21
InChIInChI=1S/C12H10FN3O4S/c1-15-9-6(13)2-5(3-8(9)21-12(15)19)16-4-7(10(14)17)20-11(16)18/h2-3,7H,4H2,1H3,(H2,14,17)/t7-/m1/s1
InChIKeyGRDXHMKGPWSGPF-SSDOTTSWSA-N
MW311.29 g/mol
LogP0.55
Rot. Bonds2

About (5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

(5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 10215035) has the molecular formula C12H10FN3O4S and a molecular weight of 311.29 g/mol. Its IUPAC name is (5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID10215035
Molecular FormulaC12H10FN3O4S
Molecular Weight311.29 g/mol
Exact Mass311.04
IUPAC Name(5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCn1c(=O)sc2cc(N3C[C@H](C(N)=O)OC3=O)cc(F)c21
InChIInChI=1S/C12H10FN3O4S/c1-15-9-6(13)2-5(3-8(9)21-12(15)19)16-4-7(10(14)17)20-11(16)18/h2-3,7H,4H2,1H3,(H2,14,17)/t7-/m1/s1
InChIKeyGRDXHMKGPWSGPF-SSDOTTSWSA-N
XLogP0.55
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-3-(7-fluoro-1-methyl-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 11536643
tert-butyl 3-[4-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 22505086
3-[3,5-difluoro-4-(thiazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 69475435
3-[4-(1,1-dioxo-1,4-thiazepan-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 11625257
(5R)-3-[3-tert-butyl-4-fluoro-2-(2-hydroxyethoxyimino)-1,3-benzoxazol-6-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 91036990
(5R)-3-[4-[(1R,5S)-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58978127
(5R)-2-oxo-3-(1,6,6-trifluoro-8-oxopyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide
CID 58746313
3-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 69022376
(5R)-3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide;(5R)-3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 159385932
(5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide
CID 58746273
(5R)-3-[14-fluoro-5-(methylamino)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746357
[(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid
CID 20813920

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (CID 10215035) is (5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is Cn1c(=O)sc2cc(N3C[C@H](C(N)=O)OC3=O)cc(F)c21.
What is the InChIKey of (5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is GRDXHMKGPWSGPF-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H10FN3O4S/c1-15-9-6(13)2-5(3-8(9)21-12(15)19)16-4-7(10(14)17)20-11(16)18/h2-3,7H,4H2,1H3,(H2,14,17)/t7-/m1/s1.
What are the key properties of (5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 311.29 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 10215035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).