N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide

C13H22N4O4S — CID 113147314

IUPACN-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCc1cc(N(CCC(=O)N2CCN(C)CC2)S(C)(=O)=O)no1
InChIInChI=1S/C13H22N4O4S/c1-11-10-12(14-21-11)17(22(3,19)20)5-4-13(18)16-8-6-15(2)7-9-16/h10H,4-9H2,1-3H3
InChIKeyVLGUWNWLPHGHFO-UHFFFAOYSA-N
MW330.41 g/mol
LogP-0.09
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide

N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113147314) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113147314
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCc1cc(N(CCC(=O)N2CCN(C)CC2)S(C)(=O)=O)no1
InChIInChI=1S/C13H22N4O4S/c1-11-10-12(14-21-11)17(22(3,19)20)5-4-13(18)16-8-6-15(2)7-9-16/h10H,4-9H2,1-3H3
InChIKeyVLGUWNWLPHGHFO-UHFFFAOYSA-N
XLogP-0.09
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113157747
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147313
N-(3-methylbutyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147361
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 113147322
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113157768
N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142905
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147345
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 113147065
N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide
CID 113145517
N-(3-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146833
ethyl 2-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113146688

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113147314) is N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide is Cc1cc(N(CCC(=O)N2CCN(C)CC2)S(C)(=O)=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is VLGUWNWLPHGHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-11-10-12(14-21-11)17(22(3,19)20)5-4-13(18)16-8-6-15(2)7-9-16/h10H,4-9H2,1-3H3.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of -0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113147314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).