3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole

C12H12N4O4S — CID 66746103

IUPAC3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2cccc(NS(N)(=O)=O)c2C#N)no1
InChIInChI=1S/C12H12N4O4S/c1-8-5-9(15-20-8)7-19-12-4-2-3-11(10(12)6-13)16-21(14,17)18/h2-5,16H,7H2,1H3,(H2,14,17,18)
InChIKeyNENZSOPYKUNEGF-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.05
Rot. Bonds5

About 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole

3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole (PubChem CID 66746103) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole
PubChem CID66746103
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2cccc(NS(N)(=O)=O)c2C#N)no1
InChIInChI=1S/C12H12N4O4S/c1-8-5-9(15-20-8)7-19-12-4-2-3-11(10(12)6-13)16-21(14,17)18/h2-5,16H,7H2,1H3,(H2,14,17,18)
InChIKeyNENZSOPYKUNEGF-UHFFFAOYSA-N
XLogP1.05
TPSA131.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole (CID 66746103) is 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole is Cc1cc(COc2cccc(NS(N)(=O)=O)c2C#N)no1.
What is the InChIKey of 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole?
The InChIKey is NENZSOPYKUNEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c1-8-5-9(15-20-8)7-19-12-4-2-3-11(10(12)6-13)16-21(14,17)18/h2-5,16H,7H2,1H3,(H2,14,17,18).
What are the key properties of 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole?
3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole has a molecular weight of 308.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 66746103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).