N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide

C23H24FN3O5S — CID 43069159

IUPACN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H24FN3O5S/c1-2-31-20-10-9-18(14-22(20)33(29,30)27-11-4-3-5-12-27)25-23(28)21-15-19(26-32-21)16-7-6-8-17(24)13-16/h6-10,13-15H,2-5,11-12H2,1H3,(H,25,28)
InChIKeyXIOJXJZXDWHPJI-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.31
Rot. Bonds7

About N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 43069159) has the molecular formula C23H24FN3O5S and a molecular weight of 473.53 g/mol. Its IUPAC name is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID43069159
Molecular FormulaC23H24FN3O5S
Molecular Weight473.53 g/mol
Exact Mass473.14
IUPAC NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H24FN3O5S/c1-2-31-20-10-9-18(14-22(20)33(29,30)27-11-4-3-5-12-27)25-23(28)21-15-19(26-32-21)16-7-6-8-17(24)13-16/h6-10,13-15H,2-5,11-12H2,1H3,(H,25,28)
InChIKeyXIOJXJZXDWHPJI-UHFFFAOYSA-N
XLogP4.31
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
CID 7589957
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(3-fluorophenyl)acetamide
CID 9390373
3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide
CID 43069054
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide
CID 33078976
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823541
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
CID 31527170
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823616
5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 33205170
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 24666449

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide (CID 43069159) is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide is CCOc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is XIOJXJZXDWHPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5S/c1-2-31-20-10-9-18(14-22(20)33(29,30)27-11-4-3-5-12-27)25-23(28)21-15-19(26-32-21)16-7-6-8-17(24)13-16/h6-10,13-15H,2-5,11-12H2,1H3,(H,25,28).
What are the key properties of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43069159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).