3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

C19H23N5O4S — CID 118470793

IUPAC3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1cc(-c2nc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)on1
InChIInChI=1S/C19H23N5O4S/c1-11-5-6-13(29(26,27)22-10-19(3,4)25)8-14(11)15-9-21-18(20)17(23-15)16-7-12(2)24-28-16/h5-9,22,25H,10H2,1-4H3,(H2,20,21)
InChIKeyAYAJXNDPUHQQND-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.05
Rot. Bonds6

About 3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (PubChem CID 118470793) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
PubChem CID118470793
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1cc(-c2nc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)on1
InChIInChI=1S/C19H23N5O4S/c1-11-5-6-13(29(26,27)22-10-19(3,4)25)8-14(11)15-9-21-18(20)17(23-15)16-7-12(2)24-28-16/h5-9,22,25H,10H2,1-4H3,(H2,20,21)
InChIKeyAYAJXNDPUHQQND-UHFFFAOYSA-N
XLogP2.05
TPSA144.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (CID 118470793) is 3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is Cc1cc(-c2nc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)on1.
What is the InChIKey of 3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is AYAJXNDPUHQQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-11-5-6-13(29(26,27)22-10-19(3,4)25)8-14(11)15-9-21-18(20)17(23-15)16-7-12(2)24-28-16/h5-9,22,25H,10H2,1-4H3,(H2,20,21).
What are the key properties of 3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 417.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 118470793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).