1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one

C15H16N4O5S — CID 134793839

IUPAC1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
SMILESCc1noc(C)c1S(=O)(=O)N1CCC2(C1)OC(=O)Nc1cnccc12
InChIInChI=1S/C15H16N4O5S/c1-9-13(10(2)24-18-9)25(21,22)19-6-4-15(8-19)11-3-5-16-7-12(11)17-14(20)23-15/h3,5,7H,4,6,8H2,1-2H3,(H,17,20)
InChIKeyVBJNRAZJQSKEPI-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.54
Rot. Bonds2

About 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one

1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one (PubChem CID 134793839) has the molecular formula C15H16N4O5S and a molecular weight of 364.38 g/mol. Its IUPAC name is 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
PubChem CID134793839
Molecular FormulaC15H16N4O5S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
SMILESCc1noc(C)c1S(=O)(=O)N1CCC2(C1)OC(=O)Nc1cnccc12
InChIInChI=1S/C15H16N4O5S/c1-9-13(10(2)24-18-9)25(21,22)19-6-4-15(8-19)11-3-5-16-7-12(11)17-14(20)23-15/h3,5,7H,4,6,8H2,1-2H3,(H,17,20)
InChIKeyVBJNRAZJQSKEPI-UHFFFAOYSA-N
XLogP1.54
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one (CID 134793839) is 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one is Cc1noc(C)c1S(=O)(=O)N1CCC2(C1)OC(=O)Nc1cnccc12.
What is the InChIKey of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The InChIKey is VBJNRAZJQSKEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5S/c1-9-13(10(2)24-18-9)25(21,22)19-6-4-15(8-19)11-3-5-16-7-12(11)17-14(20)23-15/h3,5,7H,4,6,8H2,1-2H3,(H,17,20).
What are the key properties of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one has a molecular weight of 364.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134793839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).