N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide

C16H19N3O4S — CID 1262683

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)no1
InChIInChI=1S/C16H19N3O4S/c1-12-10-15(18-23-12)17-16(20)13-6-5-7-14(11-13)24(21,22)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,20)
InChIKeyVUAYCJKSJDQKGR-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.41
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide

N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1262683) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1262683
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)no1
InChIInChI=1S/C16H19N3O4S/c1-12-10-15(18-23-12)17-16(20)13-6-5-7-14(11-13)24(21,22)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,20)
InChIKeyVUAYCJKSJDQKGR-UHFFFAOYSA-N
XLogP2.41
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.41
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-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 1262683) is N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VUAYCJKSJDQKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12-10-15(18-23-12)17-16(20)13-6-5-7-14(11-13)24(21,22)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 349.41 g/mol, XLogP of 2.41, 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-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1262683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).