4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide

C15H18N4O4S — CID 16646185

IUPAC4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESCOCCNc1oc(-c2ccc(S(=O)(=O)N(C)C)cc2)nc1C#N
InChIInChI=1S/C15H18N4O4S/c1-19(2)24(20,21)12-6-4-11(5-7-12)14-18-13(10-16)15(23-14)17-8-9-22-3/h4-7,17H,8-9H2,1-3H3
InChIKeyPWXKMBQFNQYTKE-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.52
Rot. Bonds7

About 4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide

4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 16646185) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID16646185
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESCOCCNc1oc(-c2ccc(S(=O)(=O)N(C)C)cc2)nc1C#N
InChIInChI=1S/C15H18N4O4S/c1-19(2)24(20,21)12-6-4-11(5-7-12)14-18-13(10-16)15(23-14)17-8-9-22-3/h4-7,17H,8-9H2,1-3H3
InChIKeyPWXKMBQFNQYTKE-UHFFFAOYSA-N
XLogP1.52
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide (CID 16646185) is 4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide is COCCNc1oc(-c2ccc(S(=O)(=O)N(C)C)cc2)nc1C#N.
What is the InChIKey of 4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is PWXKMBQFNQYTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-19(2)24(20,21)12-6-4-11(5-7-12)14-18-13(10-16)15(23-14)17-8-9-22-3/h4-7,17H,8-9H2,1-3H3.
What are the key properties of 4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide?
4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 16646185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).