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

C16H20FN3O3S — CID 11559425

IUPAC5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(/C=C/N(C)C)c1S(=O)(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H20FN3O3S/c1-12-16(15(23-18-12)9-10-19(2)3)24(21,22)20(4)11-13-5-7-14(17)8-6-13/h5-10H,11H2,1-4H3/b10-9+
InChIKeyVTBHYWGVYJIRII-MDZDMXLPSA-N
MW353.42 g/mol
LogP2.48
Rot. Bonds6

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

5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 11559425) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID11559425
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(/C=C/N(C)C)c1S(=O)(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H20FN3O3S/c1-12-16(15(23-18-12)9-10-19(2)3)24(21,22)20(4)11-13-5-7-14(17)8-6-13/h5-10H,11H2,1-4H3/b10-9+
InChIKeyVTBHYWGVYJIRII-MDZDMXLPSA-N
XLogP2.48
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methanone, [1-(3,5-dimethyl-4-isoxazolylsulfonyl)-4-piperidinyl]phenyl-
CID 604700
3,5-Dimethyl-N-{2-[4-(4-Methylbenzyl)piperidin-1-Yl]-3,4-Dioxocyclobut-1-En-1-Yl}-1,2-Oxazole-4-Sulfonamide
CID 90684390
N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)benzyl]amino}piperidin-1-Yl)cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide
CID 90684391
3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide
CID 3239540
N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2741492
N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
CID 3609627
5-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 76683426
3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide
CID 3861893
{1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-4-piperidyl}(4-methylphenyl)methanone
CID 2741118
3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 5165886
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 3241534
1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-4-phenylpiperazine
CID 3368289

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of 5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide (CID 11559425) is 5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is VTBHYWGVYJIRII-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-12-16(15(23-18-12)9-10-19(2)3)24(21,22)20(4)11-13-5-7-14(17)8-6-13/h5-10H,11H2,1-4H3/b10-9+.
What are the key properties of 5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide?
5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 353.42 g/mol, XLogP of 2.48, 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-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 11559425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).