N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide

C19H33N5O — CID 119158479

IUPACN'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCc1c(C)noc1C)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C19H33N5O/c1-4-20-19(21-10-8-18-15(2)22-25-16(18)3)24-13-9-17(14-24)23-11-6-5-7-12-23/h17H,4-14H2,1-3H3,(H,20,21)
InChIKeyFKROGDGHQBJUSK-UHFFFAOYSA-N
MW347.51 g/mol
LogP2.36
Rot. Bonds5

About N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide

N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide (PubChem CID 119158479) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
PubChem CID119158479
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCc1c(C)noc1C)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C19H33N5O/c1-4-20-19(21-10-8-18-15(2)22-25-16(18)3)24-13-9-17(14-24)23-11-6-5-7-12-23/h17H,4-14H2,1-3H3,(H,20,21)
InChIKeyFKROGDGHQBJUSK-UHFFFAOYSA-N
XLogP2.36
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119158725
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486966
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide
CID 109395042
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490904
N-ethyl-N'-(oxan-2-ylmethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143124
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449400
N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728745
N-ethyl-N'-(oxolan-3-ylmethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143133
N-ethyl-3-morpholin-4-yl-N'-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]pyrrolidine-1-carboximidamide
CID 111728053
4-(2,5-difluorophenyl)-N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 109451505
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine
CID 111769213
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 102559012

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide (CID 119158479) is N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide is CCN/C(=N\CCc1c(C)noc1C)N1CCC(N2CCCCC2)C1.
What is the InChIKey of N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
The InChIKey is FKROGDGHQBJUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-4-20-19(21-10-8-18-15(2)22-25-16(18)3)24-13-9-17(14-24)23-11-6-5-7-12-23/h17H,4-14H2,1-3H3,(H,20,21).
What are the key properties of N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide has a molecular weight of 347.51 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 119158479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).