3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide

C18H18N2O3S — CID 53323476

IUPAC3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-18(14(2)23-20-13)24(21,22)19-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,19H,12H2,1-2H3
InChIKeyYXYHXIHEKLZBDJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.44
Rot. Bonds5

About 3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 53323476) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID53323476
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-18(14(2)23-20-13)24(21,22)19-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,19H,12H2,1-2H3
InChIKeyYXYHXIHEKLZBDJ-UHFFFAOYSA-N
XLogP3.44
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119607
Parecoxib
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Bms-187308
CID 9908909
Methanone, [1-(3,5-dimethyl-4-isoxazolylsulfonyl)-4-piperidinyl]phenyl-
CID 604700
N-Cyclopentyl-5-(3,5-Dimethylisoxazol-4-Yl)-2-Methylbenzenesulfonamide
CID 53054259
N-cyclopropyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide
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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
3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide
CID 3239540
1-({3-Methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-YL}sulfonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 16029461
4-methyl-N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]benzenesulfonamide
CID 2738171
N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2741492
N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 4988738

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide (CID 53323476) is 3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is YXYHXIHEKLZBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-18(14(2)23-20-13)24(21,22)19-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,19H,12H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 53323476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).