N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide

C20H19N3O4S — CID 110312981

IUPACN-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(N2CCCCS2(=O)=O)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H19N3O4S/c24-20(18-14-19(27-22-18)15-7-2-1-3-8-15)21-16-9-6-10-17(13-16)23-11-4-5-12-28(23,25)26/h1-3,6-10,13-14H,4-5,11-12H2,(H,21,24)
InChIKeyNHKJOQJWWLGBDB-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.52
Rot. Bonds4

About N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 110312981) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID110312981
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(N2CCCCS2(=O)=O)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H19N3O4S/c24-20(18-14-19(27-22-18)15-7-2-1-3-8-15)21-16-9-6-10-17(13-16)23-11-4-5-12-28(23,25)26/h1-3,6-10,13-14H,4-5,11-12H2,(H,21,24)
InChIKeyNHKJOQJWWLGBDB-UHFFFAOYSA-N
XLogP3.52
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722
N-(3-piperidin-1-ylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 86832440
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]prop-2-enamide
CID 166415169
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-oxo-2-piperidin-1-ylacetamide
CID 45493330
2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 120622504
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951
[3-(1,1-dioxothiazinan-2-yl)phenyl]hydrazine
CID 82084710
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110621336

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 110312981) is N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(N2CCCCS2(=O)=O)c1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is NHKJOQJWWLGBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c24-20(18-14-19(27-22-18)15-7-2-1-3-8-15)21-16-9-6-10-17(13-16)23-11-4-5-12-28(23,25)26/h1-3,6-10,13-14H,4-5,11-12H2,(H,21,24).
What are the key properties of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110312981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).