(2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate

C19H14N2O4S — CID 16505934

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
SMILESO=C1CSc2ccc(C(=O)OCc3coc(-c4ccccc4)n3)cc2N1
InChIInChI=1S/C19H14N2O4S/c22-17-11-26-16-7-6-13(8-15(16)21-17)19(23)25-10-14-9-24-18(20-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)
InChIKeyOVCKZTKRQKRWCL-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.74
Rot. Bonds4

About (2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate

(2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate (PubChem CID 16505934) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
PubChem CID16505934
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
SMILESO=C1CSc2ccc(C(=O)OCc3coc(-c4ccccc4)n3)cc2N1
InChIInChI=1S/C19H14N2O4S/c22-17-11-26-16-7-6-13(8-15(16)21-17)19(23)25-10-14-9-24-18(20-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)
InChIKeyOVCKZTKRQKRWCL-UHFFFAOYSA-N
XLogP3.74
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16577438
furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 47348563
(3-chloro-4-methylquinolin-2-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 29404651
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(propylsulfonylamino)benzoate
CID 55553535
(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
CID 18099446
(2,5-dimethylphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16506050
(3-methoxyphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 17454387
(2-phenyl-1,3-oxazol-4-yl)methyl 4-nitrobenzoate
CID 18126093
(2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 16500587
[2-(2-methoxyanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7292138
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101205
(2-methoxy-5-methylphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7627996

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate (CID 16505934) is (2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate is O=C1CSc2ccc(C(=O)OCc3coc(-c4ccccc4)n3)cc2N1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The InChIKey is OVCKZTKRQKRWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c22-17-11-26-16-7-6-13(8-15(16)21-17)19(23)25-10-14-9-24-18(20-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22).
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
(2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate is sourced from PubChem (CID 16505934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).