4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine

C15H16N2O4S — CID 53317123

IUPAC4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCS(=O)(=O)N1CCOc2cc(COc3ccccc3)cnc21
InChIInChI=1S/C15H16N2O4S/c1-22(18,19)17-7-8-20-14-9-12(10-16-15(14)17)11-21-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyCAQVASBHJSOHTF-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.82
Rot. Bonds4

About 4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine

4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 53317123) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID53317123
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCS(=O)(=O)N1CCOc2cc(COc3ccccc3)cnc21
InChIInChI=1S/C15H16N2O4S/c1-22(18,19)17-7-8-20-14-9-12(10-16-15(14)17)11-21-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyCAQVASBHJSOHTF-UHFFFAOYSA-N
XLogP1.82
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 53317123) is 4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is CS(=O)(=O)N1CCOc2cc(COc3ccccc3)cnc21.
What is the InChIKey of 4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is CAQVASBHJSOHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-22(18,19)17-7-8-20-14-9-12(10-16-15(14)17)11-21-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 320.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 53317123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).