1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine

C24H28FN5O2 — CID 18693469

IUPAC1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N/C(N)=N/CCN2CCOCC2)on1
InChIInChI=1S/C24H28FN5O2/c1-17(19-7-8-20(21(25)15-19)18-5-3-2-4-6-18)22-16-23(32-29-22)28-24(26)27-9-10-30-11-13-31-14-12-30/h2-8,15-17H,9-14H2,1H3,(H3,26,27,28)
InChIKeyHQTBJQNGJBDKQJ-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.69
Rot. Bonds7

About 1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine

1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine (PubChem CID 18693469) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine
PubChem CID18693469
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N/C(N)=N/CCN2CCOCC2)on1
InChIInChI=1S/C24H28FN5O2/c1-17(19-7-8-20(21(25)15-19)18-5-3-2-4-6-18)22-16-23(32-29-22)28-24(26)27-9-10-30-11-13-31-14-12-30/h2-8,15-17H,9-14H2,1H3,(H3,26,27,28)
InChIKeyHQTBJQNGJBDKQJ-UHFFFAOYSA-N
XLogP3.69
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.69
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine (CID 18693469) is 1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N/C(N)=N/CCN2CCOCC2)on1.
What is the InChIKey of 1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is HQTBJQNGJBDKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-17(19-7-8-20(21(25)15-19)18-5-3-2-4-6-18)22-16-23(32-29-22)28-24(26)27-9-10-30-11-13-31-14-12-30/h2-8,15-17H,9-14H2,1H3,(H3,26,27,28).
What are the key properties of 1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine?
1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 437.52 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 18693469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).