4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one

C18H19N3O3S — CID 4008070

IUPAC4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one
SMILESO=C(c1coc(CN2C(=O)CSc3ccccc32)n1)N1CCCCC1
InChIInChI=1S/C18H19N3O3S/c22-17-12-25-15-7-3-2-6-14(15)21(17)10-16-19-13(11-24-16)18(23)20-8-4-1-5-9-20/h2-3,6-7,11H,1,4-5,8-10,12H2
InChIKeyIFHXMOICHCUSCS-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.94
Rot. Bonds3

About 4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one

4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one (PubChem CID 4008070) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one
PubChem CID4008070
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one
SMILESO=C(c1coc(CN2C(=O)CSc3ccccc32)n1)N1CCCCC1
InChIInChI=1S/C18H19N3O3S/c22-17-12-25-15-7-3-2-6-14(15)21(17)10-16-19-13(11-24-16)18(23)20-8-4-1-5-9-20/h2-3,6-7,11H,1,4-5,8-10,12H2
InChIKeyIFHXMOICHCUSCS-UHFFFAOYSA-N
XLogP2.94
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one
CID 42786262
N-[(2R)-3-methylbutan-2-yl]-2-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,3-oxazole-4-carboxamide
CID 7413113
4-[[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]-1,4-benzoxazin-3-one
CID 4221499
azocan-1-yl-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 42509334
N-cyclohexyl-2-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 4013346
(3S)-1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119137272
6-[2-(2-methoxyphenoxy)acetyl]-4-[[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzoxazin-3-one
CID 42846572
6-[2-(2-chlorophenoxy)acetyl]-4-[[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzoxazin-3-one
CID 42846553
N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 3968650
[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
CID 42856312
4-[2-oxo-2-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one
CID 3829623
2-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 7296677

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one?
The IUPAC name of 4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one (CID 4008070) is 4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one?
The canonical SMILES for 4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one is O=C(c1coc(CN2C(=O)CSc3ccccc32)n1)N1CCCCC1.
What is the InChIKey of 4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one?
The InChIKey is IFHXMOICHCUSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-17-12-25-15-7-3-2-6-14(15)21(17)10-16-19-13(11-24-16)18(23)20-8-4-1-5-9-20/h2-3,6-7,11H,1,4-5,8-10,12H2.
What are the key properties of 4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one?
4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one has a molecular weight of 357.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one is sourced from PubChem (CID 4008070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).