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

C24H28FN5O2 — CID 18693703

IUPAC1-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine
SMILESCC(c1ccc(-c2ccccc2F)cc1)c1cc(N/C(N)=N/CCN2CCOCC2)on1
InChIInChI=1S/C24H28FN5O2/c1-17(18-6-8-19(9-7-18)20-4-2-3-5-21(20)25)22-16-23(32-29-22)28-24(26)27-10-11-30-12-14-31-15-13-30/h2-9,16-17H,10-15H2,1H3,(H3,26,27,28)
InChIKeySATLPLYPXUEEIW-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.69
Rot. Bonds7

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

1-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine (PubChem CID 18693703) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine
PubChem CID18693703
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name1-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine
SMILESCC(c1ccc(-c2ccccc2F)cc1)c1cc(N/C(N)=N/CCN2CCOCC2)on1
InChIInChI=1S/C24H28FN5O2/c1-17(18-6-8-19(9-7-18)20-4-2-3-5-21(20)25)22-16-23(32-29-22)28-24(26)27-10-11-30-12-14-31-15-13-30/h2-9,16-17H,10-15H2,1H3,(H3,26,27,28)
InChIKeySATLPLYPXUEEIW-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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Related Compounds

1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine
CID 18693469
1-carbamimidoyl-3-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 70081885
1-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 118279948
2-[[amino-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]amino]methylidene]amino]acetic acid
CID 18693459
2-(2-morpholin-4-ylethyl)-1-phenylguanidine
CID 62364486
N'-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]thiomorpholine-4-carboximidamide
CID 54404143
4-acetyl-N'-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]piperazine-1-carboximidamide
CID 54259435
N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
CID 70081652
(3E)-3-[amino(dimethylamino)methylidene]-2-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine
CID 18693483
2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111024489
N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
CID 54149386
N'-[3-[1-[3-fluoro-4-(4-hydroxyphenyl)phenyl]ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide;hydrochloride
CID 18693773

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine (CID 18693703) is 1-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine is CC(c1ccc(-c2ccccc2F)cc1)c1cc(N/C(N)=N/CCN2CCOCC2)on1.
What is the InChIKey of 1-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is SATLPLYPXUEEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-17(18-6-8-19(9-7-18)20-4-2-3-5-21(20)25)22-16-23(32-29-22)28-24(26)27-10-11-30-12-14-31-15-13-30/h2-9,16-17H,10-15H2,1H3,(H3,26,27,28).
What are the key properties of 1-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine?
1-[3-[1-[4-(2-fluorophenyl)phenyl]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-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 18693703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).