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

C18H24N4O — CID 119130050

IUPACN',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCc1cc(-c2ccccc2)no1)N1CCCC(C)C1
InChIInChI=1S/C18H24N4O/c1-14-7-6-10-22(13-14)18(19-2)20-12-16-11-17(21-23-16)15-8-4-3-5-9-15/h3-5,8-9,11,14H,6-7,10,12-13H2,1-2H3,(H,19,20)
InChIKeyBAJCAPKEWYJJQD-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.15
Rot. Bonds3

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

N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide (PubChem CID 119130050) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide
PubChem CID119130050
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCc1cc(-c2ccccc2)no1)N1CCCC(C)C1
InChIInChI=1S/C18H24N4O/c1-14-7-6-10-22(13-14)18(19-2)20-12-16-11-17(21-23-16)15-8-4-3-5-9-15/h3-5,8-9,11,14H,6-7,10,12-13H2,1-2H3,(H,19,20)
InChIKeyBAJCAPKEWYJJQD-UHFFFAOYSA-N
XLogP3.15
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.15
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

(3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
CID 94064692
N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111510756
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine
CID 119150732
4-(furan-2-carbonyl)-N'-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119130370
N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 111144338
N-[(2-fluorophenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143725
(3S)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126449505
(3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126449506
N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142946
N',3-dimethyl-N-[(3-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145047
N-(furan-2-ylmethyl)-2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 111143803
N-[(5-ethylthiophen-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144482

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide (CID 119130050) is N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide is C/N=C(\NCc1cc(-c2ccccc2)no1)N1CCCC(C)C1.
What is the InChIKey of N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is BAJCAPKEWYJJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-7-6-10-22(13-14)18(19-2)20-12-16-11-17(21-23-16)15-8-4-3-5-9-15/h3-5,8-9,11,14H,6-7,10,12-13H2,1-2H3,(H,19,20).
What are the key properties of N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide?
N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 312.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 119130050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).