2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine

C17H25N5O — CID 111675144

IUPAC2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCCC(CC)c1cc(C/N=C(\N)NCCc2ccccn2)on1
InChIInChI=1S/C17H25N5O/c1-3-13(4-2)16-11-15(23-22-16)12-21-17(18)20-10-8-14-7-5-6-9-19-14/h5-7,9,11,13H,3-4,8,10,12H2,1-2H3,(H3,18,20,21)
InChIKeyZADJDTCREJBHGT-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.62
Rot. Bonds8

About 2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine

2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111675144) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111675144
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCCC(CC)c1cc(C/N=C(\N)NCCc2ccccn2)on1
InChIInChI=1S/C17H25N5O/c1-3-13(4-2)16-11-15(23-22-16)12-21-17(18)20-10-8-14-7-5-6-9-19-14/h5-7,9,11,13H,3-4,8,10,12H2,1-2H3,(H3,18,20,21)
InChIKeyZADJDTCREJBHGT-UHFFFAOYSA-N
XLogP2.62
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
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

2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111585571
2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111820141
1-(3-methylbutyl)-2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111820163
1-hexyl-2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111820204
2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylguanidine
CID 111465268
ethyl 5-[[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]furan-2-carboxylate
CID 111859531
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
2-[(3-hydroxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 75532909
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-[(2,5-dimethylfuran-3-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111580606
2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111813602
2-[(3-methyl-2-pyridinyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111802397

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111675144) is 2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine is CCC(CC)c1cc(C/N=C(\N)NCCc2ccccn2)on1.
What is the InChIKey of 2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is ZADJDTCREJBHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-13(4-2)16-11-15(23-22-16)12-21-17(18)20-10-8-14-7-5-6-9-19-14/h5-7,9,11,13H,3-4,8,10,12H2,1-2H3,(H3,18,20,21).
What are the key properties of 2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 315.42 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111675144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).