3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide

C13H17N3O3S — CID 110870356

IUPAC3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)(C)c1cccnc1
InChIInChI=1S/C13H17N3O3S/c1-9-12(10(2)19-15-9)20(17,18)16-13(3,4)11-6-5-7-14-8-11/h5-8,16H,1-4H3
InChIKeyVBHSQDAPMNRWKX-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.90
Rot. Bonds4

About 3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide (PubChem CID 110870356) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide
PubChem CID110870356
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)(C)c1cccnc1
InChIInChI=1S/C13H17N3O3S/c1-9-12(10(2)19-15-9)20(17,18)16-13(3,4)11-6-5-7-14-8-11/h5-8,16H,1-4H3
InChIKeyVBHSQDAPMNRWKX-UHFFFAOYSA-N
XLogP1.90
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide
CID 113091993
N-(2,2-diphenylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26545265
4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide
CID 113091997
3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 110361048
2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 3844087
N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113392334
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide
CID 112506429
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
N-(1-chloro-2-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65032564
N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113090418

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide (CID 110870356) is 3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC(C)(C)c1cccnc1.
What is the InChIKey of 3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide?
The InChIKey is VBHSQDAPMNRWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-12(10(2)19-15-9)20(17,18)16-13(3,4)11-6-5-7-14-8-11/h5-8,16H,1-4H3.
What are the key properties of 3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.90, 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-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110870356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).