3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine

C12H16N4O3S — CID 119969885

IUPAC3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2ncc(S(=O)(=O)N3CCNCC3C)cc12
InChIInChI=1S/C12H16N4O3S/c1-8-6-13-3-4-16(8)20(17,18)10-5-11-9(2)15-19-12(11)14-7-10/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyNRYHOZPATOZQBM-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.51
Rot. Bonds2

About 3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine

3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 119969885) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
PubChem CID119969885
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2ncc(S(=O)(=O)N3CCNCC3C)cc12
InChIInChI=1S/C12H16N4O3S/c1-8-6-13-3-4-16(8)20(17,18)10-5-11-9(2)15-19-12(11)14-7-10/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyNRYHOZPATOZQBM-UHFFFAOYSA-N
XLogP0.51
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride
CID 120764952
(2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine
CID 82755664
(2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine
CID 82755884
(1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol
CID 98853522
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
1-(3-bromo-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 120708117
6-(2-methylpiperazin-1-yl)sulfonyl-1H-quinazoline-2,4-dione
CID 119969859
(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716849
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine (CID 119969885) is 3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine is Cc1noc2ncc(S(=O)(=O)N3CCNCC3C)cc12.
What is the InChIKey of 3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is NRYHOZPATOZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-8-6-13-3-4-16(8)20(17,18)10-5-11-9(2)15-19-12(11)14-7-10/h5,7-8,13H,3-4,6H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine?
3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 296.35 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 119969885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).