1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine

C16H16N4O4S — CID 167746549

IUPAC1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
SMILESCCc1noc2ncc(S(=O)(=O)N3CCOc4ncc(C)cc43)cc12
InChIInChI=1S/C16H16N4O4S/c1-3-13-12-7-11(9-18-15(12)24-19-13)25(21,22)20-4-5-23-16-14(20)6-10(2)8-17-16/h6-9H,3-5H2,1-2H3
InChIKeyVUKMVAUEFMLITG-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.08
Rot. Bonds3

About 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine

1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine (PubChem CID 167746549) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
PubChem CID167746549
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
SMILESCCc1noc2ncc(S(=O)(=O)N3CCOc4ncc(C)cc43)cc12
InChIInChI=1S/C16H16N4O4S/c1-3-13-12-7-11(9-18-15(12)24-19-13)25(21,22)20-4-5-23-16-14(20)6-10(2)8-17-16/h6-9H,3-5H2,1-2H3
InChIKeyVUKMVAUEFMLITG-UHFFFAOYSA-N
XLogP2.08
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The IUPAC name of 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine (CID 167746549) is 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine is CCc1noc2ncc(S(=O)(=O)N3CCOc4ncc(C)cc43)cc12.
What is the InChIKey of 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The InChIKey is VUKMVAUEFMLITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-3-13-12-7-11(9-18-15(12)24-19-13)25(21,22)20-4-5-23-16-14(20)6-10(2)8-17-16/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine?
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine has a molecular weight of 360.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 167746549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).