N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide

C19H26N4O — CID 111739198

IUPACN-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cc(-c2ccccc2)on1)N1CCC(C)(C)C1
InChIInChI=1S/C19H26N4O/c1-4-20-18(23-11-10-19(2,3)14-23)21-13-16-12-17(24-22-16)15-8-6-5-7-9-15/h5-9,12H,4,10-11,13-14H2,1-3H3,(H,20,21)
InChIKeyPYCOLBCUQRIVTQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.54
Rot. Bonds4

About N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide

N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 111739198) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide
PubChem CID111739198
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cc(-c2ccccc2)on1)N1CCC(C)(C)C1
InChIInChI=1S/C19H26N4O/c1-4-20-18(23-11-10-19(2,3)14-23)21-13-16-12-17(24-22-16)15-8-6-5-7-9-15/h5-9,12H,4,10-11,13-14H2,1-3H3,(H,20,21)
InChIKeyPYCOLBCUQRIVTQ-UHFFFAOYSA-N
XLogP3.54
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219766
N-ethyl-3,3-dimethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739927
N-ethyl-3-(phenylmethoxymethyl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide
CID 111525796
tert-butyl N-[1-[N-ethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111729916
N-ethyl-N'-[(3-hydroxyphenyl)methyl]-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111996239
N'-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739545
2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
CID 111738976
N-ethyl-3,3-dimethyl-N'-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740109
1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 110992891
N'-[(3-cyanophenyl)methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739599
N-ethyl-3,3-dimethyl-N'-[(2-nitrophenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738874
N-ethyl-3,3-dimethyl-N'-[(4-sulfamoylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111739334

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide (CID 111739198) is N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide is CCN/C(=N\Cc1cc(-c2ccccc2)on1)N1CCC(C)(C)C1.
What is the InChIKey of N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is PYCOLBCUQRIVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-20-18(23-11-10-19(2,3)14-23)21-13-16-12-17(24-22-16)15-8-6-5-7-9-15/h5-9,12H,4,10-11,13-14H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide?
N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 326.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111739198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).