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

C20H23FN4O4S — CID 118470062

IUPAC5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1cc(-c2cc(-c3cc(S(=O)(=O)NCC(C)(C)O)c(F)cc3C)cnc2N)on1
InChIInChI=1S/C20H23FN4O4S/c1-11-5-16(21)18(30(27,28)24-10-20(3,4)26)8-14(11)13-7-15(19(22)23-9-13)17-6-12(2)25-29-17/h5-9,24,26H,10H2,1-4H3,(H2,22,23)
InChIKeyXUWNECGLJFPCFS-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.79
Rot. Bonds6

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

5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (PubChem CID 118470062) has the molecular formula C20H23FN4O4S and a molecular weight of 434.49 g/mol. Its IUPAC name is 5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
PubChem CID118470062
Molecular FormulaC20H23FN4O4S
Molecular Weight434.49 g/mol
Exact Mass434.14
IUPAC Name5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1cc(-c2cc(-c3cc(S(=O)(=O)NCC(C)(C)O)c(F)cc3C)cnc2N)on1
InChIInChI=1S/C20H23FN4O4S/c1-11-5-16(21)18(30(27,28)24-10-20(3,4)26)8-14(11)13-7-15(19(22)23-9-13)17-6-12(2)25-29-17/h5-9,24,26H,10H2,1-4H3,(H2,22,23)
InChIKeyXUWNECGLJFPCFS-UHFFFAOYSA-N
XLogP2.79
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (CID 118470062) is 5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is Cc1cc(-c2cc(-c3cc(S(=O)(=O)NCC(C)(C)O)c(F)cc3C)cnc2N)on1.
What is the InChIKey of 5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is XUWNECGLJFPCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4S/c1-11-5-16(21)18(30(27,28)24-10-20(3,4)26)8-14(11)13-7-15(19(22)23-9-13)17-6-12(2)25-29-17/h5-9,24,26H,10H2,1-4H3,(H2,22,23).
What are the key properties of 5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 434.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 118470062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).