1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine

C15H20N4O — CID 111078067

IUPAC1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
SMILESCC(C)CN/C(N)=N/Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H20N4O/c1-11(2)9-17-15(16)18-10-13-8-14(20-19-13)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H3,16,17,18)
InChIKeyAQBQVDJDLAKNPK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.40
Rot. Bonds5

About 1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine

1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine (PubChem CID 111078067) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
PubChem CID111078067
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
SMILESCC(C)CN/C(N)=N/Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H20N4O/c1-11(2)9-17-15(16)18-10-13-8-14(20-19-13)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H3,16,17,18)
InChIKeyAQBQVDJDLAKNPK-UHFFFAOYSA-N
XLogP2.40
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.40
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-butan-2-yl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 110927490
1-(2-methylpropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038263
1-hexyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111078074
1-phenyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 110927486
1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111078093
1-(3-methylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111078048
1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111022232
1,1-diethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111078072
1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 79492896
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398
1-ethyl-3-(1-phenylethyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 110950311
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110912092

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The IUPAC name of 1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine (CID 111078067) is 1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine is CC(C)CN/C(N)=N/Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The InChIKey is AQBQVDJDLAKNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)9-17-15(16)18-10-13-8-14(20-19-13)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H3,16,17,18).
What are the key properties of 1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine has a molecular weight of 272.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine is sourced from PubChem (CID 111078067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).