methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate

C12H11N3O5S — CID 91151379

IUPACmethyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate
SMILESCOC(=O)CC1=NS(=O)(=O)c2c(ccc3oc(C)nc23)N1
InChIInChI=1S/C12H11N3O5S/c1-6-13-11-8(20-6)4-3-7-12(11)21(17,18)15-9(14-7)5-10(16)19-2/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyWYVMWYDPOAZBDU-UHFFFAOYSA-N
MW309.30 g/mol
LogP1.21
Rot. Bonds2

About methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate

methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate (PubChem CID 91151379) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate
PubChem CID91151379
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Namemethyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate
SMILESCOC(=O)CC1=NS(=O)(=O)c2c(ccc3oc(C)nc23)N1
InChIInChI=1S/C12H11N3O5S/c1-6-13-11-8(20-6)4-3-7-12(11)21(17,18)15-9(14-7)5-10(16)19-2/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyWYVMWYDPOAZBDU-UHFFFAOYSA-N
XLogP1.21
TPSA110.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate with MolForge

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Related Compounds

1-(4-methoxy-2-methyl-1,3-benzoxazol-5-yl)propan-2-one
CID 83888578
ethyl 2-(6-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetate
CID 91148825
(2-methyl-1,3-benzoxazol-4-yl)methanol;methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 158641727
methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 14616762
methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate
CID 115232907
2-methyl-1,3-benzoxazole-4,5-dicarboxylic acid
CID 19800639
methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate
CID 130853662
methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate
CID 131332888
methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
CID 66912251
methyl 2-(5-amino-1,3-benzoxazol-2-yl)acetate
CID 131332887
5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid
CID 77231209
tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate
CID 168946781

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate?
The IUPAC name of methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate (CID 91151379) is methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate.
What is the SMILES notation for methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate?
The canonical SMILES for methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate is COC(=O)CC1=NS(=O)(=O)c2c(ccc3oc(C)nc23)N1.
What is the InChIKey of methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate?
The InChIKey is WYVMWYDPOAZBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c1-6-13-11-8(20-6)4-3-7-12(11)21(17,18)15-9(14-7)5-10(16)19-2/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate?
methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate has a molecular weight of 309.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-methyl-1,1-dioxo-4H-[1,3]oxazolo[5,4-h][1,2,4]benzothiadiazin-3-yl)acetate is sourced from PubChem (CID 91151379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).