5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C16H22N4O4S — CID 169411774

IUPAC5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1cc(S(=O)(=O)N2CCc3oc(C4CCOCC4)nc3C2)n(C)n1
InChIInChI=1S/C16H22N4O4S/c1-11-9-15(19(2)18-11)25(21,22)20-6-3-14-13(10-20)17-16(24-14)12-4-7-23-8-5-12/h9,12H,3-8,10H2,1-2H3
InChIKeyIJDVPFZUYIHNPA-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.36
Rot. Bonds3

About 5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 169411774) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID169411774
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1cc(S(=O)(=O)N2CCc3oc(C4CCOCC4)nc3C2)n(C)n1
InChIInChI=1S/C16H22N4O4S/c1-11-9-15(19(2)18-11)25(21,22)20-6-3-14-13(10-20)17-16(24-14)12-4-7-23-8-5-12/h9,12H,3-8,10H2,1-2H3
InChIKeyIJDVPFZUYIHNPA-UHFFFAOYSA-N
XLogP1.36
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 169411774) is 5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is Cc1cc(S(=O)(=O)N2CCc3oc(C4CCOCC4)nc3C2)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is IJDVPFZUYIHNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-11-9-15(19(2)18-11)25(21,22)20-6-3-14-13(10-20)17-16(24-14)12-4-7-23-8-5-12/h9,12H,3-8,10H2,1-2H3.
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 366.44 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 169411774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).