N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide

C16H19N5O5S — CID 71786358

IUPACN'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)Nc1ccon1
InChIInChI=1S/C16H19N5O5S/c22-15(16(23)19-14-5-9-26-20-14)18-10-12-3-7-21(8-4-12)27(24,25)13-2-1-6-17-11-13/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,18,22)(H,19,20,23)
InChIKeySFNHFUYLIQPMPH-UHFFFAOYSA-N
MW393.43 g/mol
LogP0.23
Rot. Bonds5

About N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide

N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide (PubChem CID 71786358) has the molecular formula C16H19N5O5S and a molecular weight of 393.43 g/mol. Its IUPAC name is N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
PubChem CID71786358
Molecular FormulaC16H19N5O5S
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC NameN'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)Nc1ccon1
InChIInChI=1S/C16H19N5O5S/c22-15(16(23)19-14-5-9-26-20-14)18-10-12-3-7-21(8-4-12)27(24,25)13-2-1-6-17-11-13/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,18,22)(H,19,20,23)
InChIKeySFNHFUYLIQPMPH-UHFFFAOYSA-N
XLogP0.23
TPSA134.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521056
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
N'-(2-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521058
N'-(3,5-dimethylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521064
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786370
N'-[4-(dimethylamino)phenyl]-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521084
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 16887272
1-(3,5-dimethylphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521683
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
CID 90521514

Frequently Asked Questions

What is the IUPAC name of N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide (CID 71786358) is N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide is O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)Nc1ccon1.
What is the InChIKey of N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide?
The InChIKey is SFNHFUYLIQPMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O5S/c22-15(16(23)19-14-5-9-26-20-14)18-10-12-3-7-21(8-4-12)27(24,25)13-2-1-6-17-11-13/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,18,22)(H,19,20,23).
What are the key properties of N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide?
N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide has a molecular weight of 393.43 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 71786358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).