5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C18H19N3O3S — CID 20935451

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C18H19N3O3S/c1-12-6-7-16(18-13(2)14(3)21-24-18)9-17(12)25(22,23)20-11-15-5-4-8-19-10-15/h4-10,20H,11H2,1-3H3
InChIKeyNHOGQKNRWLCHGD-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.14
Rot. Bonds5

About 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 20935451) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID20935451
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C18H19N3O3S/c1-12-6-7-16(18-13(2)14(3)21-24-18)9-17(12)25(22,23)20-11-15-5-4-8-19-10-15/h4-10,20H,11H2,1-3H3
InChIKeyNHOGQKNRWLCHGD-UHFFFAOYSA-N
XLogP3.14
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 20935451) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is NHOGQKNRWLCHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-6-7-16(18-13(2)14(3)21-24-18)9-17(12)25(22,23)20-11-15-5-4-8-19-10-15/h4-10,20H,11H2,1-3H3.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 20935451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).