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

C17H21N3O4S — CID 4800225

IUPAC3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H21N3O4S/c1-12-16(13(2)24-19-12)17(21)18-14-7-6-8-15(11-14)25(22,23)20-9-4-3-5-10-20/h6-8,11H,3-5,9-10H2,1-2H3,(H,18,21)
InChIKeyQVZPNEGPCXDLDB-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.72
Rot. Bonds4

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

3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 4800225) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID4800225
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H21N3O4S/c1-12-16(13(2)24-19-12)17(21)18-14-7-6-8-15(11-14)25(22,23)20-9-4-3-5-10-20/h6-8,11H,3-5,9-10H2,1-2H3,(H,18,21)
InChIKeyQVZPNEGPCXDLDB-UHFFFAOYSA-N
XLogP2.72
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (CID 4800225) is 3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is QVZPNEGPCXDLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-12-16(13(2)24-19-12)17(21)18-14-7-6-8-15(11-14)25(22,23)20-9-4-3-5-10-20/h6-8,11H,3-5,9-10H2,1-2H3,(H,18,21).
What are the key properties of 3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4800225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).