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

C19H28N4O2 — CID 109431387

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1nc(C)c(C)o1)NCCc1cccc(OCC)c1
InChIInChI=1S/C19H28N4O2/c1-5-20-19(22-13-18-23-14(3)15(4)25-18)21-11-10-16-8-7-9-17(12-16)24-6-2/h7-9,12H,5-6,10-11,13H2,1-4H3,(H2,20,21,22)
InChIKeyGYKLBJKZLIJSGZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.99
Rot. Bonds8

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine (PubChem CID 109431387) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine
PubChem CID109431387
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1nc(C)c(C)o1)NCCc1cccc(OCC)c1
InChIInChI=1S/C19H28N4O2/c1-5-20-19(22-13-18-23-14(3)15(4)25-18)21-11-10-16-8-7-9-17(12-16)24-6-2/h7-9,12H,5-6,10-11,13H2,1-4H3,(H2,20,21,22)
InChIKeyGYKLBJKZLIJSGZ-UHFFFAOYSA-N
XLogP2.99
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.99
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

1-[2-(3-bromophenoxy)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430423
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3,5-dimethylphenyl)ethyl]-3-ethylguanidine
CID 111649358
3-[2-[[N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111634020
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111170254
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine
CID 109429901
1-[2-(4-butoxyphenyl)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109432086
2-[(3-ethoxyphenyl)methyl]-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111170817
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 109431131
1-[2-(6-bromonaphthalen-2-yl)oxyethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109429425
2-[(3-ethoxyphenyl)methyl]-1,3-diethylguanidine
CID 110925664
2-[[3-(2,2-difluoroethoxy)phenyl]methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109431976
2-[3-[[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide;hydroiodide
CID 109432520

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine (CID 109431387) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine is CCN/C(=N\Cc1nc(C)c(C)o1)NCCc1cccc(OCC)c1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine?
The InChIKey is GYKLBJKZLIJSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-5-20-19(22-13-18-23-14(3)15(4)25-18)21-11-10-16-8-7-9-17(12-16)24-6-2/h7-9,12H,5-6,10-11,13H2,1-4H3,(H2,20,21,22).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine has a molecular weight of 344.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]-3-ethylguanidine is sourced from PubChem (CID 109431387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).