2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine

C20H22N4O — CID 111822676

IUPAC2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine
SMILESCc1ccc(-c2cnc(C/N=C(\N)NCCc3ccccc3)o2)cc1
InChIInChI=1S/C20H22N4O/c1-15-7-9-17(10-8-15)18-13-23-19(25-18)14-24-20(21)22-12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H3,21,22,24)
InChIKeyOWYMXJAZIPZRBV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.30
Rot. Bonds6

About 2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine

2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine (PubChem CID 111822676) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine
PubChem CID111822676
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine
SMILESCc1ccc(-c2cnc(C/N=C(\N)NCCc3ccccc3)o2)cc1
InChIInChI=1S/C20H22N4O/c1-15-7-9-17(10-8-15)18-13-23-19(25-18)14-24-20(21)22-12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H3,21,22,24)
InChIKeyOWYMXJAZIPZRBV-UHFFFAOYSA-N
XLogP3.30
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.30
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

2-methyl-1-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111799457
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-phenylethyl)guanidine
CID 111078878
2-benzyl-5-(4-methylphenyl)-1,3-oxazole
CID 135058309
1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine
CID 111547089
1-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111822653
1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide
CID 111068995
2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
CID 111041913
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111033131
1,2-bis(2-phenylethyl)guanidine
CID 111022877
benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
CID 30699767
2-benzyl-1-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine
CID 131227756

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine (CID 111822676) is 2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine is Cc1ccc(-c2cnc(C/N=C(\N)NCCc3ccccc3)o2)cc1.
What is the InChIKey of 2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine?
The InChIKey is OWYMXJAZIPZRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-7-9-17(10-8-15)18-13-23-19(25-18)14-24-20(21)22-12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H3,21,22,24).
What are the key properties of 2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine?
2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine has a molecular weight of 334.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111822676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).