5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide

C17H23N3O3S — CID 20969549

IUPAC5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2c(C)noc2/C=C/N(C)C)cc1
InChIInChI=1S/C17H23N3O3S/c1-13-6-8-15(9-7-13)12-20(5)24(21,22)17-14(2)18-23-16(17)10-11-19(3)4/h6-11H,12H2,1-5H3/b11-10+
InChIKeyLPQQBLSKUQSJBX-ZHACJKMWSA-N
MW349.46 g/mol
LogP2.64
Rot. Bonds6

About 5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide

5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 20969549) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID20969549
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2c(C)noc2/C=C/N(C)C)cc1
InChIInChI=1S/C17H23N3O3S/c1-13-6-8-15(9-7-13)12-20(5)24(21,22)17-14(2)18-23-16(17)10-11-19(3)4/h6-11H,12H2,1-5H3/b11-10+
InChIKeyLPQQBLSKUQSJBX-ZHACJKMWSA-N
XLogP2.64
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide (CID 20969549) is 5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2c(C)noc2/C=C/N(C)C)cc1.
What is the InChIKey of 5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is LPQQBLSKUQSJBX-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13-6-8-15(9-7-13)12-20(5)24(21,22)17-14(2)18-23-16(17)10-11-19(3)4/h6-11H,12H2,1-5H3/b11-10+.
What are the key properties of 5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide?
5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 20969549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).