1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine

C23H27FN4O3 — CID 111986877

IUPAC1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
SMILESCCN/C(=N\Cc1coc(-c2ccc(C)cc2)n1)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C23H27FN4O3/c1-3-25-23(27-13-20(29)15-30-21-10-8-18(24)9-11-21)26-12-19-14-31-22(28-19)17-6-4-16(2)5-7-17/h4-11,14,20,29H,3,12-13,15H2,1-2H3,(H2,25,26,27)
InChIKeyIWDCSHCSDOOPIX-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.28
Rot. Bonds9

About 1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine

1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine (PubChem CID 111986877) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
PubChem CID111986877
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
SMILESCCN/C(=N\Cc1coc(-c2ccc(C)cc2)n1)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C23H27FN4O3/c1-3-25-23(27-13-20(29)15-30-21-10-8-18(24)9-11-21)26-12-19-14-31-22(28-19)17-6-4-16(2)5-7-17/h4-11,14,20,29H,3,12-13,15H2,1-2H3,(H2,25,26,27)
InChIKeyIWDCSHCSDOOPIX-UHFFFAOYSA-N
XLogP3.28
TPSA91.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111245328
1-ethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111985550
1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111990832
1-ethyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111985552
1-ethyl-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-prop-2-ynylguanidine
CID 111591703
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111981028
1-ethyl-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-pentylguanidine;hydroiodide
CID 111590136
1-ethyl-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111591132
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]guanidine
CID 111880707
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-ethyl-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
CID 111592145
1-ethyl-3-[2-hydroxy-3-(4-nitrophenoxy)propyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111244073
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111899996

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine (CID 111986877) is 1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine is CCN/C(=N\Cc1coc(-c2ccc(C)cc2)n1)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine?
The InChIKey is IWDCSHCSDOOPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-3-25-23(27-13-20(29)15-30-21-10-8-18(24)9-11-21)26-12-19-14-31-22(28-19)17-6-4-16(2)5-7-17/h4-11,14,20,29H,3,12-13,15H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine?
1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine has a molecular weight of 426.49 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine is sourced from PubChem (CID 111986877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).