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

C16H22N4O4S — CID 112506429

IUPAC3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C16H22N4O4S/c1-12-16(13(2)24-19-12)25(21,22)18-11-15(14-4-3-5-17-10-14)20-6-8-23-9-7-20/h3-5,10,15,18H,6-9,11H2,1-2H3
InChIKeyWZQOSEAIOZSVSL-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.04
Rot. Bonds6

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

3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide (PubChem CID 112506429) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide
PubChem CID112506429
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C16H22N4O4S/c1-12-16(13(2)24-19-12)25(21,22)18-11-15(14-4-3-5-17-10-14)20-6-8-23-9-7-20/h3-5,10,15,18H,6-9,11H2,1-2H3
InChIKeyWZQOSEAIOZSVSL-UHFFFAOYSA-N
XLogP1.04
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506407
N-(ethylsulfamoyl)-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 110623720
3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506418
1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506422
3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 110361048
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506424
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112506427
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 21007749
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide (CID 112506429) is 3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC(c1cccnc1)N1CCOCC1.
What is the InChIKey of 3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is WZQOSEAIOZSVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-12-16(13(2)24-19-12)25(21,22)18-11-15(14-4-3-5-17-10-14)20-6-8-23-9-7-20/h3-5,10,15,18H,6-9,11H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 366.44 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 112506429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).