3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide

C17H20N6O4S — CID 71792125

IUPAC3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1(c2nc(-c3cnccn3)no2)CCCCC1
InChIInChI=1S/C17H20N6O4S/c1-11-14(12(2)26-21-11)28(24,25)23-17(6-4-3-5-7-17)16-20-15(22-27-16)13-10-18-8-9-19-13/h8-10,23H,3-7H2,1-2H3
InChIKeyXDXFBMACNXMGTM-UHFFFAOYSA-N
MW404.45 g/mol
LogP2.27
Rot. Bonds5

About 3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide (PubChem CID 71792125) has the molecular formula C17H20N6O4S and a molecular weight of 404.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide
PubChem CID71792125
Molecular FormulaC17H20N6O4S
Molecular Weight404.45 g/mol
Exact Mass404.13
IUPAC Name3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1(c2nc(-c3cnccn3)no2)CCCCC1
InChIInChI=1S/C17H20N6O4S/c1-11-14(12(2)26-21-11)28(24,25)23-17(6-4-3-5-7-17)16-20-15(22-27-16)13-10-18-8-9-19-13/h8-10,23H,3-7H2,1-2H3
InChIKeyXDXFBMACNXMGTM-UHFFFAOYSA-N
XLogP2.27
TPSA136.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide (CID 71792125) is 3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC1(c2nc(-c3cnccn3)no2)CCCCC1.
What is the InChIKey of 3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is XDXFBMACNXMGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O4S/c1-11-14(12(2)26-21-11)28(24,25)23-17(6-4-3-5-7-17)16-20-15(22-27-16)13-10-18-8-9-19-13/h8-10,23H,3-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 404.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 71792125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).