1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one

C17H12N2O4S — CID 17433209

IUPAC1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one
SMILESO=C1c2ccccc2S(=O)(=O)N1Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H12N2O4S/c20-17-14-8-4-5-9-16(14)24(21,22)19(17)11-13-10-15(18-23-13)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyNYRYRMYJRLUEEJ-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.69
Rot. Bonds3

About 1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one

1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one (PubChem CID 17433209) has the molecular formula C17H12N2O4S and a molecular weight of 340.36 g/mol. Its IUPAC name is 1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one
PubChem CID17433209
Molecular FormulaC17H12N2O4S
Molecular Weight340.36 g/mol
Exact Mass340.05
IUPAC Name1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one
SMILESO=C1c2ccccc2S(=O)(=O)N1Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H12N2O4S/c20-17-14-8-4-5-9-16(14)24(21,22)19(17)11-13-10-15(18-23-13)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyNYRYRMYJRLUEEJ-UHFFFAOYSA-N
XLogP2.69
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 1484368
2-Methyl-1-[2-methyl-5-(3-methyl-1,2-oxazol-5-YL)benzenesulfonyl]-2,3-dihydro-1H-indole
CID 16025211
2-[[3-(2-Methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 17492191
N-Benzyl-N-methyl-4-(3-methyl-1,2-oxazol-5-YL)benzene-1-sulfonamide
CID 20917415
2-[[3-(4-Methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 41874556
2-[[3-(4-Nitrophenyl)-1,2-oxazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 76321814
1,1-Dioxo-2-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one
CID 155515308
1,1-Dioxo-2-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one
CID 155520029
2-[[3-(3-Methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155536422
2-[[3-(3-Nitrophenyl)-1,2-oxazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155540665
1,1-Dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one
CID 155559682
1-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl]-2,3-dihydro-1H-indole
CID 16025002

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one?
The IUPAC name of 1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one (CID 17433209) is 1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one.
What is the SMILES notation for 1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one?
The canonical SMILES for 1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one is O=C1c2ccccc2S(=O)(=O)N1Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one?
The InChIKey is NYRYRMYJRLUEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4S/c20-17-14-8-4-5-9-16(14)24(21,22)19(17)11-13-10-15(18-23-13)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one?
1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one has a molecular weight of 340.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one is sourced from PubChem (CID 17433209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).