N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide

C21H23N3O5S — CID 56970146

IUPACN-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccno3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C21H23N3O5S/c1-14-5-6-15(2)16(11-14)13-28-20-12-17(23-21(25)19-9-10-22-29-19)7-8-18(20)24(3)30(4,26)27/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyIVGWEKOWSQTNAI-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.52
Rot. Bonds7

About N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide

N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 56970146) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID56970146
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccno3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C21H23N3O5S/c1-14-5-6-15(2)16(11-14)13-28-20-12-17(23-21(25)19-9-10-22-29-19)7-8-18(20)24(3)30(4,26)27/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyIVGWEKOWSQTNAI-UHFFFAOYSA-N
XLogP3.52
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide
CID 56969934
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 56969936
N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide
CID 57385283
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[6-hydroxyhexyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 57385284
N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide
CID 45483389
N-[4-[methyl(methylsulfonyl)amino]-3-[(4-propan-2-ylphenyl)methoxy]phenyl]benzamide
CID 45483441
N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 71747643
N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenyl)acetamide
CID 113093104
N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylmethanesulfonamide;methane;methyl 5-methyl-2-[methyl(methylsulfonyl)amino]benzoate
CID 158411246
N-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 110693653
N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 1100061
methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate
CID 61057722

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide (CID 56970146) is N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide is Cc1ccc(C)c(COc2cc(NC(=O)c3ccno3)ccc2N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is IVGWEKOWSQTNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14-5-6-15(2)16(11-14)13-28-20-12-17(23-21(25)19-9-10-22-29-19)7-8-18(20)24(3)30(4,26)27/h5-12H,13H2,1-4H3,(H,23,25).
What are the key properties of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide?
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56970146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).