N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C18H20N4O3S — CID 113012046

IUPACN-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(N(C)Cc2ccccc2)nc1
InChIInChI=1S/C18H20N4O3S/c1-13-18(14(2)25-20-13)26(23,24)21-16-9-10-17(19-11-16)22(3)12-15-7-5-4-6-8-15/h4-11,21H,12H2,1-3H3
InChIKeyDFDQXUMXMSIRHE-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.12
Rot. Bonds6

About N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113012046) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113012046
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(N(C)Cc2ccccc2)nc1
InChIInChI=1S/C18H20N4O3S/c1-13-18(14(2)25-20-13)26(23,24)21-16-9-10-17(19-11-16)22(3)12-15-7-5-4-6-8-15/h4-11,21H,12H2,1-3H3
InChIKeyDFDQXUMXMSIRHE-UHFFFAOYSA-N
XLogP3.12
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113012037
N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986593
3,5-dimethyl-N-(6-methylsulfanyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 71878682
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113011636
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 3241358
3,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113009202
N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8603709
N-(3-benzyl-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 27301181
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113012335
N-[6-(2-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113019369
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113023189

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113012046) is N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(N(C)Cc2ccccc2)nc1.
What is the InChIKey of N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is DFDQXUMXMSIRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13-18(14(2)25-20-13)26(23,24)21-16-9-10-17(19-11-16)22(3)12-15-7-5-4-6-8-15/h4-11,21H,12H2,1-3H3.
What are the key properties of N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113012046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).