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

C20H25N3O5S — CID 33205170

IUPAC5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C3CC3)on2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O5S/c1-2-27-17-9-8-15(12-19(17)29(25,26)23-10-4-3-5-11-23)21-20(24)16-13-18(28-22-16)14-6-7-14/h8-9,12-14H,2-7,10-11H2,1H3,(H,21,24)
InChIKeyGYGPQBLQZHOVBC-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.38
Rot. Bonds7

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

5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 33205170) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID33205170
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C3CC3)on2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O5S/c1-2-27-17-9-8-15(12-19(17)29(25,26)23-10-4-3-5-11-23)21-20(24)16-13-18(28-22-16)14-6-7-14/h8-9,12-14H,2-7,10-11H2,1H3,(H,21,24)
InChIKeyGYGPQBLQZHOVBC-UHFFFAOYSA-N
XLogP3.38
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
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N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823616
5-cyclopropyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 31810077
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CID 46678053
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide
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2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
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N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
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N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide (CID 33205170) is 5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide is CCOc1ccc(NC(=O)c2cc(C3CC3)on2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GYGPQBLQZHOVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-2-27-17-9-8-15(12-19(17)29(25,26)23-10-4-3-5-11-23)21-20(24)16-13-18(28-22-16)14-6-7-14/h8-9,12-14H,2-7,10-11H2,1H3,(H,21,24).
What are the key properties of 5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 33205170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).