1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

C17H16FN3O4S — CID 17425375

IUPAC1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(Cc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C17H16FN3O4S/c1-20(2)26(23,24)14-7-8-17(22)21(10-14)11-16-19-9-15(25-16)12-3-5-13(18)6-4-12/h3-10H,11H2,1-2H3
InChIKeyDEYASWRUSHPRGG-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.94
Rot. Bonds5

About 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (PubChem CID 17425375) has the molecular formula C17H16FN3O4S and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
PubChem CID17425375
Molecular FormulaC17H16FN3O4S
Molecular Weight377.40 g/mol
Exact Mass377.08
IUPAC Name1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(Cc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C17H16FN3O4S/c1-20(2)26(23,24)14-7-8-17(22)21(10-14)11-16-19-9-15(25-16)12-3-5-13(18)6-4-12/h3-10H,11H2,1-2H3
InChIKeyDEYASWRUSHPRGG-UHFFFAOYSA-N
XLogP1.94
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (CID 17425375) is 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ncc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is DEYASWRUSHPRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S/c1-20(2)26(23,24)14-7-8-17(22)21(10-14)11-16-19-9-15(25-16)12-3-5-13(18)6-4-12/h3-10H,11H2,1-2H3.
What are the key properties of 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 377.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 17425375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).