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

C18H23N3O4S — CID 6468193

IUPAC3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-16-17(13(2)25-20-16)18(22)19-14-7-9-15(10-8-14)26(23,24)21-11-5-4-6-12-21/h7-10H,3-6,11-12H2,1-2H3,(H,19,22)
InChIKeyUPZKIGVLVUHWJY-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.97
Rot. Bonds5

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

3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 6468193) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID6468193
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-16-17(13(2)25-20-16)18(22)19-14-7-9-15(10-8-14)26(23,24)21-11-5-4-6-12-21/h7-10H,3-6,11-12H2,1-2H3,(H,19,22)
InChIKeyUPZKIGVLVUHWJY-UHFFFAOYSA-N
XLogP2.97
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 17070736
5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 6469593
3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 55364062
3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 9183600
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 9360666
N-(3-chloro-4-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9068463
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 7760096
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
3,5-dimethyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,2-oxazole-4-carbohydrazide
CID 9327405

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (CID 6468193) is 3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is UPZKIGVLVUHWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-16-17(13(2)25-20-16)18(22)19-14-7-9-15(10-8-14)26(23,24)21-11-5-4-6-12-21/h7-10H,3-6,11-12H2,1-2H3,(H,19,22).
What are the key properties of 3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 6468193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).