2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide

C14H15N3O3S — CID 110870140

IUPAC2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCc1noc(C)c1CN(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H15N3O3S/c1-10-13(11(2)20-16-10)9-17(3)21(18,19)14-7-5-4-6-12(14)8-15/h4-7H,9H2,1-3H3
InChIKeyOZPFAPGKOCXVKO-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.98
Rot. Bonds4

About 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide

2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 110870140) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID110870140
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCc1noc(C)c1CN(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H15N3O3S/c1-10-13(11(2)20-16-10)9-17(3)21(18,19)14-7-5-4-6-12(14)8-15/h4-7H,9H2,1-3H3
InChIKeyOZPFAPGKOCXVKO-UHFFFAOYSA-N
XLogP1.98
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide (CID 110870140) is 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide is Cc1noc(C)c1CN(C)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is OZPFAPGKOCXVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-13(11(2)20-16-10)9-17(3)21(18,19)14-7-5-4-6-12(14)8-15/h4-7H,9H2,1-3H3.
What are the key properties of 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide?
2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 110870140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).