N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide

C15H28N4O3S — CID 71872556

IUPACN-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCCc1cnc(CN(C)C2CCN(CCCNS(C)(=O)=O)C2)o1
InChIInChI=1S/C15H28N4O3S/c1-4-14-10-16-15(22-14)12-18(2)13-6-9-19(11-13)8-5-7-17-23(3,20)21/h10,13,17H,4-9,11-12H2,1-3H3
InChIKeyXQJFAOWHZPROOY-UHFFFAOYSA-N
MW344.48 g/mol
LogP0.68
Rot. Bonds9

About N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide

N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide (PubChem CID 71872556) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide
PubChem CID71872556
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC NameN-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCCc1cnc(CN(C)C2CCN(CCCNS(C)(=O)=O)C2)o1
InChIInChI=1S/C15H28N4O3S/c1-4-14-10-16-15(22-14)12-18(2)13-6-9-19(11-13)8-5-7-17-23(3,20)21/h10,13,17H,4-9,11-12H2,1-3H3
InChIKeyXQJFAOWHZPROOY-UHFFFAOYSA-N
XLogP0.68
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
CID 71873201
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-N-ethylmethanesulfonamide
CID 53625366
2-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 71857462
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 71871791
N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 71872540
N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 71872553
1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 71872587
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide
CID 71928346
2-[(5-Propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 72015278
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine
CID 72122768
3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide
CID 72122771
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide hydrochloride
CID 71756632

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide (CID 71872556) is N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide is CCc1cnc(CN(C)C2CCN(CCCNS(C)(=O)=O)C2)o1.
What is the InChIKey of N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide?
The InChIKey is XQJFAOWHZPROOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-4-14-10-16-15(22-14)12-18(2)13-6-9-19(11-13)8-5-7-17-23(3,20)21/h10,13,17H,4-9,11-12H2,1-3H3.
What are the key properties of N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide?
N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 0.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 71872556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).