2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine

C19H28N4O — CID 111283385

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine
SMILESCCN/C(=N\Cc1nc(C)c(C)o1)N(C)Cc1ccc(CC)cc1
InChIInChI=1S/C19H28N4O/c1-6-16-8-10-17(11-9-16)13-23(5)19(20-7-2)21-12-18-22-14(3)15(4)24-18/h8-11H,6-7,12-13H2,1-5H3,(H,20,21)
InChIKeyJEOVNYRPPFSSEN-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.45
Rot. Bonds6

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine (PubChem CID 111283385) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine
PubChem CID111283385
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine
SMILESCCN/C(=N\Cc1nc(C)c(C)o1)N(C)Cc1ccc(CC)cc1
InChIInChI=1S/C19H28N4O/c1-6-16-8-10-17(11-9-16)13-23(5)19(20-7-2)21-12-18-22-14(3)15(4)24-18/h8-11H,6-7,12-13H2,1-5H3,(H,20,21)
InChIKeyJEOVNYRPPFSSEN-UHFFFAOYSA-N
XLogP3.45
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.45
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

1-[(4-bromophenyl)methyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 111293360
3-ethyl-1-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-methylphenyl)methyl]guanidine
CID 111289341
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111272016
1-[(4-ethoxyphenyl)methyl]-3-ethyl-1-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111275072
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109429918
3-ethyl-1-[(4-ethylphenyl)methyl]-1-methyl-2-[[4-(methylsulfonylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111282996
4-[[[ethylamino-[(4-ethylphenyl)methyl-methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111282946
1-[3-[benzyl(methyl)amino]propyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109429317
1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111288160
2-[[ethylamino-[(4-ethylphenyl)methyl-methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111283428
3-ethyl-2-(2-methoxyethyl)-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 111289253
2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111288888

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine (CID 111283385) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine is CCN/C(=N\Cc1nc(C)c(C)o1)N(C)Cc1ccc(CC)cc1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine?
The InChIKey is JEOVNYRPPFSSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-6-16-8-10-17(11-9-16)13-23(5)19(20-7-2)21-12-18-22-14(3)15(4)24-18/h8-11H,6-7,12-13H2,1-5H3,(H,20,21).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine has a molecular weight of 328.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-[(4-ethylphenyl)methyl]-1-methylguanidine is sourced from PubChem (CID 111283385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).