7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one

C15H16N2O3S — CID 126475087

IUPAC7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one
SMILESCOc1ccc2c(c1)SC(C)C(=O)N2Cc1cc(C)on1
InChIInChI=1S/C15H16N2O3S/c1-9-6-11(16-20-9)8-17-13-5-4-12(19-3)7-14(13)21-10(2)15(17)18/h4-7,10H,8H2,1-3H3
InChIKeyPNZQABDYPSKUKQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.02
Rot. Bonds3

About 7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one

7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one (PubChem CID 126475087) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one
PubChem CID126475087
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one
SMILESCOc1ccc2c(c1)SC(C)C(=O)N2Cc1cc(C)on1
InChIInChI=1S/C15H16N2O3S/c1-9-6-11(16-20-9)8-17-13-5-4-12(19-3)7-14(13)21-10(2)15(17)18/h4-7,10H,8H2,1-3H3
InChIKeyPNZQABDYPSKUKQ-UHFFFAOYSA-N
XLogP3.02
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one with MolForge

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Related Compounds

7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 126475212
4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one
CID 126471107
7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one
CID 84594385
4-(1,3-benzodioxol-5-ylmethyl)-2,7-dimethyl-1,4-benzothiazin-3-one
CID 126471739
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 9060380
4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
CID 126475650
1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione
CID 8956354
2-[(7-chloro-2-methyl-3-oxo-1,4-benzothiazin-4-yl)methyl]benzonitrile
CID 126471649
2-[2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16798367
6-(2,4-dimethoxyphenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493955
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
CID 126475404
3-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methoxy-2H-1,3-benzothiazole-2,3-diamine
CID 123311204

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one?
The IUPAC name of 7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one (CID 126475087) is 7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one?
The canonical SMILES for 7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one is COc1ccc2c(c1)SC(C)C(=O)N2Cc1cc(C)on1.
What is the InChIKey of 7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one?
The InChIKey is PNZQABDYPSKUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-6-11(16-20-9)8-17-13-5-4-12(19-3)7-14(13)21-10(2)15(17)18/h4-7,10H,8H2,1-3H3.
What are the key properties of 7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one?
7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one has a molecular weight of 304.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-benzothiazin-3-one is sourced from PubChem (CID 126475087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).