1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate

C19H16N4O4S — CID 55563453

IUPAC1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
SMILESCC(OC(=O)CN1C(=O)CSc2ccccc21)c1nc(-c2cccnc2)no1
InChIInChI=1S/C19H16N4O4S/c1-12(19-21-18(22-27-19)13-5-4-8-20-9-13)26-17(25)10-23-14-6-2-3-7-15(14)28-11-16(23)24/h2-9,12H,10-11H2,1H3
InChIKeyOQIDTEVASKEHQD-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.87
Rot. Bonds5

About 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate (PubChem CID 55563453) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate.

Molecular Properties

Compound Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
PubChem CID55563453
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
SMILESCC(OC(=O)CN1C(=O)CSc2ccccc21)c1nc(-c2cccnc2)no1
InChIInChI=1S/C19H16N4O4S/c1-12(19-21-18(22-27-19)13-5-4-8-20-9-13)26-17(25)10-23-14-6-2-3-7-15(14)28-11-16(23)24/h2-9,12H,10-11H2,1H3
InChIKeyOQIDTEVASKEHQD-UHFFFAOYSA-N
XLogP2.87
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate with MolForge

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Related Compounds

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 46544490
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-bromophenyl)acetate
CID 46548702
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(2,4-dichlorophenyl)acetate
CID 55547011
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate
CID 46545372
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55562582
[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2,6-dimethoxybenzoate
CID 52562351
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate
CID 46688253
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(2-oxochromen-7-yl)oxyacetate
CID 55487975
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate
CID 46544316
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 55546738
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55557843

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate?
The IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate (CID 55563453) is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate.
What is the SMILES notation for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate?
The canonical SMILES for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate is CC(OC(=O)CN1C(=O)CSc2ccccc21)c1nc(-c2cccnc2)no1.
What is the InChIKey of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate?
The InChIKey is OQIDTEVASKEHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-12(19-21-18(22-27-19)13-5-4-8-20-9-13)26-17(25)10-23-14-6-2-3-7-15(14)28-11-16(23)24/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate?
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate has a molecular weight of 396.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate is sourced from PubChem (CID 55563453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).