2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide

C14H11N3O3S — CID 169226828

IUPAC2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide
SMILESO=S1(=O)NC(c2ccccc2)Nc2c1ccc1ncoc21
InChIInChI=1S/C14H11N3O3S/c18-21(19)11-7-6-10-13(20-8-15-10)12(11)16-14(17-21)9-4-2-1-3-5-9/h1-8,14,16-17H
InChIKeyWIXDZRRUBSLCTM-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.23
Rot. Bonds1

About 2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide

2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide (PubChem CID 169226828) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide.

Molecular Properties

Compound Name2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide
PubChem CID169226828
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide
SMILESO=S1(=O)NC(c2ccccc2)Nc2c1ccc1ncoc21
InChIInChI=1S/C14H11N3O3S/c18-21(19)11-7-6-10-13(20-8-15-10)12(11)16-14(17-21)9-4-2-1-3-5-9/h1-8,14,16-17H
InChIKeyWIXDZRRUBSLCTM-UHFFFAOYSA-N
XLogP2.23
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide?
The IUPAC name of 2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide (CID 169226828) is 2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide.
What is the SMILES notation for 2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide?
The canonical SMILES for 2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide is O=S1(=O)NC(c2ccccc2)Nc2c1ccc1ncoc21.
What is the InChIKey of 2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide?
The InChIKey is WIXDZRRUBSLCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-21(19)11-7-6-10-13(20-8-15-10)12(11)16-14(17-21)9-4-2-1-3-5-9/h1-8,14,16-17H.
What are the key properties of 2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide?
2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide has a molecular weight of 301.33 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,3-dihydro-1H-[1,3]oxazolo[5,4-f][1,2,4]benzothiadiazine 4,4-dioxide is sourced from PubChem (CID 169226828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).