N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

C17H21N3O4S — CID 1309913

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)no1
InChIInChI=1S/C17H21N3O4S/c1-12-6-8-20(9-7-12)25(22,23)15-5-3-4-14(11-15)17(21)18-16-10-13(2)24-19-16/h3-5,10-12H,6-9H2,1-2H3,(H,18,19,21)
InChIKeyYHKMJKOOYUXHBO-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.66
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 1309913) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID1309913
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)no1
InChIInChI=1S/C17H21N3O4S/c1-12-6-8-20(9-7-12)25(22,23)15-5-3-4-14(11-15)17(21)18-16-10-13(2)24-19-16/h3-5,10-12H,6-9H2,1-2H3,(H,18,19,21)
InChIKeyYHKMJKOOYUXHBO-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 1309913) is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is YHKMJKOOYUXHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-12-6-8-20(9-7-12)25(22,23)15-5-3-4-14(11-15)17(21)18-16-10-13(2)24-19-16/h3-5,10-12H,6-9H2,1-2H3,(H,18,19,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 363.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 1309913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).