1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine

C9H16N4O — CID 79492896

IUPAC1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine
SMILESCC(C)CN/C(N)=N/Cc1ccon1
InChIInChI=1S/C9H16N4O/c1-7(2)5-11-9(10)12-6-8-3-4-14-13-8/h3-4,7H,5-6H2,1-2H3,(H3,10,11,12)
InChIKeyZHFSLONXMUXBHC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.73
Rot. Bonds4

About 1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine

1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine (PubChem CID 79492896) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine
PubChem CID79492896
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine
SMILESCC(C)CN/C(N)=N/Cc1ccon1
InChIInChI=1S/C9H16N4O/c1-7(2)5-11-9(10)12-6-8-3-4-14-13-8/h3-4,7H,5-6H2,1-2H3,(H3,10,11,12)
InChIKeyZHFSLONXMUXBHC-UHFFFAOYSA-N
XLogP0.73
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
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

1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110912092
1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111078067
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
1-(2-methylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine
CID 111802574
1-(2-methylpropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038263
1-(2,6-diethylphenyl)-2-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111601392
2-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111087779
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111806939
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 111601362
1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine
CID 62362032

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine?
The IUPAC name of 1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine (CID 79492896) is 1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine?
The canonical SMILES for 1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine is CC(C)CN/C(N)=N/Cc1ccon1.
What is the InChIKey of 1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine?
The InChIKey is ZHFSLONXMUXBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)5-11-9(10)12-6-8-3-4-14-13-8/h3-4,7H,5-6H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine?
1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine has a molecular weight of 196.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine is sourced from PubChem (CID 79492896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).