N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C20H21N3O6S — CID 24666449

IUPACN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H21N3O6S/c1-2-27-17-8-7-14(12-19(17)30(25,26)23-9-3-4-10-23)21-20(24)15-13-18(29-22-15)16-6-5-11-28-16/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,24)
InChIKeyZDNJPAUZAMHKLE-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.37
Rot. Bonds7

About N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24666449) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID24666449
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H21N3O6S/c1-2-27-17-8-7-14(12-19(17)30(25,26)23-9-3-4-10-23)21-20(24)15-13-18(29-22-15)16-6-5-11-28-16/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,24)
InChIKeyZDNJPAUZAMHKLE-UHFFFAOYSA-N
XLogP3.37
TPSA114.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 33205170
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823616
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823541
2-(4-chlorophenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 46678053
2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 32696205
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide
CID 39932948
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
CID 7589957

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 24666449) is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CCOc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZDNJPAUZAMHKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c1-2-27-17-8-7-14(12-19(17)30(25,26)23-9-3-4-10-23)21-20(24)15-13-18(29-22-15)16-6-5-11-28-16/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,24).
What are the key properties of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24666449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).