N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide

C16H20N4O — CID 111809380

IUPACN'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1coc(-c2ccccc2)n1)N1CCCCC1
InChIInChI=1S/C16H20N4O/c17-16(20-9-5-2-6-10-20)18-11-14-12-21-15(19-14)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H2,17,18)
InChIKeyWOHWHIDWLDXGCU-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.64
Rot. Bonds3

About N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide

N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide (PubChem CID 111809380) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide
PubChem CID111809380
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1coc(-c2ccccc2)n1)N1CCCCC1
InChIInChI=1S/C16H20N4O/c17-16(20-9-5-2-6-10-20)18-11-14-12-21-15(19-14)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H2,17,18)
InChIKeyWOHWHIDWLDXGCU-UHFFFAOYSA-N
XLogP2.64
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.64
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

4-(4-chlorophenyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111809309
N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111809397
N'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111813933
(2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one
CID 94029184
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111809336
1-ethyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111553984
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine
CID 111498146
N'-[[5-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide
CID 18693850
4-(4-fluorophenyl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazine-1-carboximidamide
CID 111038418
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
1-(3-methylbutyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111809343
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111553621

Frequently Asked Questions

What is the IUPAC name of N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide (CID 111809380) is N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide is N/C(=N\Cc1coc(-c2ccccc2)n1)N1CCCCC1.
What is the InChIKey of N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is WOHWHIDWLDXGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-16(20-9-5-2-6-10-20)18-11-14-12-21-15(19-14)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H2,17,18).
What are the key properties of N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide?
N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111809380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).