5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide

C22H23N3O5S — CID 17011926

IUPAC5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1C
InChIInChI=1S/C22H23N3O5S/c1-15-3-4-17(13-16(15)2)21-14-20(24-30-21)22(26)23-18-5-7-19(8-6-18)31(27,28)25-9-11-29-12-10-25/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)
InChIKeyAHJDCIQIFHLYAM-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.23
Rot. Bonds5

About 5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide

5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17011926) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17011926
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1C
InChIInChI=1S/C22H23N3O5S/c1-15-3-4-17(13-16(15)2)21-14-20(24-30-21)22(26)23-18-5-7-19(8-6-18)31(27,28)25-9-11-29-12-10-25/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)
InChIKeyAHJDCIQIFHLYAM-UHFFFAOYSA-N
XLogP3.23
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethylphenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 35043262
5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 6469593
5-(4-methylphenyl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 35043688
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30126882
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 41417441
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide (CID 17011926) is 5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AHJDCIQIFHLYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-15-3-4-17(13-16(15)2)21-14-20(24-30-21)22(26)23-18-5-7-19(8-6-18)31(27,28)25-9-11-29-12-10-25/h3-8,13-14H,9-12H2,1-2H3,(H,23,26).
What are the key properties of 5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17011926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).