3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide

C19H13Cl2N3O3S — CID 4200614

IUPAC3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C19H13Cl2N3O3S/c1-9-16(18(24-27-9)17-11(20)3-2-4-12(17)21)19(26)22-10-5-6-14-13(7-10)23-15(25)8-28-14/h2-7H,8H2,1H3,(H,22,26)(H,23,25)
InChIKeyYAKHWCIDSLUFCZ-UHFFFAOYSA-N
MW434.30 g/mol
LogP5.25
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide (PubChem CID 4200614) has the molecular formula C19H13Cl2N3O3S and a molecular weight of 434.30 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide
PubChem CID4200614
Molecular FormulaC19H13Cl2N3O3S
Molecular Weight434.30 g/mol
Exact Mass433.01
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C19H13Cl2N3O3S/c1-9-16(18(24-27-9)17-11(20)3-2-4-12(17)21)19(26)22-10-5-6-14-13(7-10)23-15(25)8-28-14/h2-7H,8H2,1H3,(H,22,26)(H,23,25)
InChIKeyYAKHWCIDSLUFCZ-UHFFFAOYSA-N
XLogP5.25
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.30
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 177376733
N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55572102
3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide
CID 55572883
3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
N-(4-acetylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118276
3-(2,6-dichlorophenyl)-5-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 31825313
3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide
CID 39624353
3-(2,6-dichlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide
CID 39644444
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide
CID 61041116
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide (CID 4200614) is 3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is YAKHWCIDSLUFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3S/c1-9-16(18(24-27-9)17-11(20)3-2-4-12(17)21)19(26)22-10-5-6-14-13(7-10)23-15(25)8-28-14/h2-7H,8H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 434.30 g/mol, XLogP of 5.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4200614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).