1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine

C24H36FN5O2 — CID 111936183

IUPAC1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H36FN5O2/c1-4-26-24(28-16-22(15-18(2)3)30-11-13-31-14-12-30)27-10-9-21-17-32-23(29-21)19-5-7-20(25)8-6-19/h5-8,17-18,22H,4,9-16H2,1-3H3,(H2,26,27,28)
InChIKeyVUXPSNNVLQPNFR-UHFFFAOYSA-N
MW445.58 g/mol
LogP3.33
Rot. Bonds10

About 1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine

1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine (PubChem CID 111936183) has the molecular formula C24H36FN5O2 and a molecular weight of 445.58 g/mol. Its IUPAC name is 1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
PubChem CID111936183
Molecular FormulaC24H36FN5O2
Molecular Weight445.58 g/mol
Exact Mass445.29
IUPAC Name1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H36FN5O2/c1-4-26-24(28-16-22(15-18(2)3)30-11-13-31-14-12-30)27-10-9-21-17-32-23(29-21)19-5-7-20(25)8-6-19/h5-8,17-18,22H,4,9-16H2,1-3H3,(H2,26,27,28)
InChIKeyVUXPSNNVLQPNFR-UHFFFAOYSA-N
XLogP3.33
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.58
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935416
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180414
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187760
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(3-methylbutyl)guanidine
CID 110978729
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 110978728
1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111998699
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111935079
1-ethyl-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180426
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine
CID 111711413
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110941717
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021468
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704850

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine (CID 111936183) is 1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine is CCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The InChIKey is VUXPSNNVLQPNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN5O2/c1-4-26-24(28-16-22(15-18(2)3)30-11-13-31-14-12-30)27-10-9-21-17-32-23(29-21)19-5-7-20(25)8-6-19/h5-8,17-18,22H,4,9-16H2,1-3H3,(H2,26,27,28).
What are the key properties of 1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine has a molecular weight of 445.58 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine is sourced from PubChem (CID 111936183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).