N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide

C14H24N4O — CID 111740072

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1nc(C)c(C)o1)N1CCC(C)(C)C1
InChIInChI=1S/C14H24N4O/c1-10-11(2)19-12(17-10)8-16-13(15-5)18-7-6-14(3,4)9-18/h6-9H2,1-5H3,(H,15,16)
InChIKeyJRLLMOOAIMBYCV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.10
Rot. Bonds2

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide (PubChem CID 111740072) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
PubChem CID111740072
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1nc(C)c(C)o1)N1CCC(C)(C)C1
InChIInChI=1S/C14H24N4O/c1-10-11(2)19-12(17-10)8-16-13(15-5)18-7-6-14(3,4)9-18/h6-9H2,1-5H3,(H,15,16)
InChIKeyJRLLMOOAIMBYCV-UHFFFAOYSA-N
XLogP2.10
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.10
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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153219
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143968
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744100
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111184436
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738770
N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738646
4-(3-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111186736
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine
CID 109430843
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106374874
N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111738016
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]guanidine;hydroiodide
CID 109429468
N-[(6-chloro-3-pyridinyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738276

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide (CID 111740072) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide is C/N=C(\NCc1nc(C)c(C)o1)N1CCC(C)(C)C1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The InChIKey is JRLLMOOAIMBYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-11(2)19-12(17-10)8-16-13(15-5)18-7-6-14(3,4)9-18/h6-9H2,1-5H3,(H,15,16).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide has a molecular weight of 264.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111740072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).