N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C16H17N3O3S — CID 38881217

IUPACN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1cc(CN(C)C(=O)CN2C(=O)CSc3ccccc32)no1
InChIInChI=1S/C16H17N3O3S/c1-11-7-12(17-22-11)8-18(2)15(20)9-19-13-5-3-4-6-14(13)23-10-16(19)21/h3-7H,8-10H2,1-2H3
InChIKeyCKYDURQGBLDBRK-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.08
Rot. Bonds4

About N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 38881217) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID38881217
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1cc(CN(C)C(=O)CN2C(=O)CSc3ccccc32)no1
InChIInChI=1S/C16H17N3O3S/c1-11-7-12(17-22-11)8-18(2)15(20)9-19-13-5-3-4-6-14(13)23-10-16(19)21/h3-7H,8-10H2,1-2H3
InChIKeyCKYDURQGBLDBRK-UHFFFAOYSA-N
XLogP2.08
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18196008
N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 32757789
3-[methyl-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propanoic acid
CID 119232485
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 17438535
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 119653152
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18115840
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18093717
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673524
N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide
CID 51199440
N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide
CID 119550692
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86984764

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 38881217) is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is Cc1cc(CN(C)C(=O)CN2C(=O)CSc3ccccc32)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is CKYDURQGBLDBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-7-12(17-22-11)8-18(2)15(20)9-19-13-5-3-4-6-14(13)23-10-16(19)21/h3-7H,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 38881217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).