3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole

C11H14N4O3S — CID 53185454

IUPAC3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C11H14N4O3S/c1-7-11(8(2)18-14-7)19(16,17)15-4-3-10-9(6-15)5-12-13-10/h5H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyAOKNBCIVSFKUHJ-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.76
Rot. Bonds2

About 3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole

3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole (PubChem CID 53185454) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole
PubChem CID53185454
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C11H14N4O3S/c1-7-11(8(2)18-14-7)19(16,17)15-4-3-10-9(6-15)5-12-13-10/h5H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyAOKNBCIVSFKUHJ-UHFFFAOYSA-N
XLogP0.76
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 28707261
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CID 31193670
3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole
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N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide
CID 155916239
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CID 177323711
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3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole
CID 110740099
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
3,5-dimethyl-4-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95824645
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole (CID 53185454) is 3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCc2[nH]ncc2C1.
What is the InChIKey of 3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole?
The InChIKey is AOKNBCIVSFKUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-7-11(8(2)18-14-7)19(16,17)15-4-3-10-9(6-15)5-12-13-10/h5H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole?
3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole has a molecular weight of 282.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole is sourced from PubChem (CID 53185454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).