3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide

C24H27N3O5S — CID 55364062

IUPAC3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1
InChIInChI=1S/C24H27N3O5S/c1-3-20-23(17(2)32-26-20)24(28)25-21-16-19(33(29,30)27-14-8-5-9-15-27)12-13-22(21)31-18-10-6-4-7-11-18/h4,6-7,10-13,16H,3,5,8-9,14-15H2,1-2H3,(H,25,28)
InChIKeyRCROOFRAHARMSM-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.76
Rot. Bonds7

About 3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 55364062) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID55364062
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1
InChIInChI=1S/C24H27N3O5S/c1-3-20-23(17(2)32-26-20)24(28)25-21-16-19(33(29,30)27-14-8-5-9-15-27)12-13-22(21)31-18-10-6-4-7-11-18/h4,6-7,10-13,16H,3,5,8-9,14-15H2,1-2H3,(H,25,28)
InChIKeyRCROOFRAHARMSM-UHFFFAOYSA-N
XLogP4.76
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 26285878
3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 6468193
3-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 17070736
2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 46511334
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8501995
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)acetamide
CID 30994022
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 30748290
N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide
CID 4831895
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24505987
N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide
CID 24510864
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (CID 55364062) is 3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1.
What is the InChIKey of 3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is RCROOFRAHARMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-3-20-23(17(2)32-26-20)24(28)25-21-16-19(33(29,30)27-14-8-5-9-15-27)12-13-22(21)31-18-10-6-4-7-11-18/h4,6-7,10-13,16H,3,5,8-9,14-15H2,1-2H3,(H,25,28).
What are the key properties of 3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55364062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).