(5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

C13H13N3O4S — CID 90969745

IUPAC(5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCN1C(=O)C(N2C[C@H](C(N)=O)OC2=O)Sc2ccccc21
InChIInChI=1S/C13H13N3O4S/c1-15-7-4-2-3-5-9(7)21-12(11(15)18)16-6-8(10(14)17)20-13(16)19/h2-5,8,12H,6H2,1H3,(H2,14,17)/t8-,12?/m1/s1
InChIKeyOGBLOMHXKQBRFH-SZSXPDSJSA-N
MW307.33 g/mol
LogP0.39
Rot. Bonds2

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

(5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 90969745) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is (5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID90969745
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name(5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCN1C(=O)C(N2C[C@H](C(N)=O)OC2=O)Sc2ccccc21
InChIInChI=1S/C13H13N3O4S/c1-15-7-4-2-3-5-9(7)21-12(11(15)18)16-6-8(10(14)17)20-13(16)19/h2-5,8,12H,6H2,1H3,(H2,14,17)/t8-,12?/m1/s1
InChIKeyOGBLOMHXKQBRFH-SZSXPDSJSA-N
XLogP0.39
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 175255836
(5R)-5-(aminomethyl)-3-(1-methyl-2-oxo-3H-indol-3-yl)-1,3-oxazolidin-2-one
CID 69319575
2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 13375165
(3R)-3-amino-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 69196199
2-acetyl-4-methyl-1,4-benzoxazin-3-one
CID 116991012
3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 54772600
(5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10149461
ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 123732001
2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 14244691
ethyl 2-phenyl-2H-1,3-benzothiazole-3-carboxylate
CID 46894218
4-(3-methyl-2H-1,3-benzothiazol-2-yl)butan-2-one
CID 14360336
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 173096627

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (CID 90969745) is (5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is CN1C(=O)C(N2C[C@H](C(N)=O)OC2=O)Sc2ccccc21.
What is the InChIKey of (5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is OGBLOMHXKQBRFH-SZSXPDSJSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-15-7-4-2-3-5-9(7)21-12(11(15)18)16-6-8(10(14)17)20-13(16)19/h2-5,8,12H,6H2,1H3,(H2,14,17)/t8-,12?/m1/s1.
What are the key properties of (5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 307.33 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 90969745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).