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

C20H22FN5O — CID 18693398

IUPAC2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N/C(N)=N/CCN)no1
InChIInChI=1S/C20H22FN5O/c1-13(18-12-19(26-27-18)25-20(23)24-10-9-22)15-7-8-16(17(21)11-15)14-5-3-2-4-6-14/h2-8,11-13H,9-10,22H2,1H3,(H3,23,24,25,26)
InChIKeyCYJWPYFEJSVIOW-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.32
Rot. Bonds6

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

2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine (PubChem CID 18693398) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine.

Molecular Properties

Compound Name2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine
PubChem CID18693398
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N/C(N)=N/CCN)no1
InChIInChI=1S/C20H22FN5O/c1-13(18-12-19(26-27-18)25-20(23)24-10-9-22)15-7-8-16(17(21)11-15)14-5-3-2-4-6-14/h2-8,11-13H,9-10,22H2,1H3,(H3,23,24,25,26)
InChIKeyCYJWPYFEJSVIOW-UHFFFAOYSA-N
XLogP3.32
TPSA102.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine?
The IUPAC name of 2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine (CID 18693398) is 2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine.
What is the SMILES notation for 2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine?
The canonical SMILES for 2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N/C(N)=N/CCN)no1.
What is the InChIKey of 2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine?
The InChIKey is CYJWPYFEJSVIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-13(18-12-19(26-27-18)25-20(23)24-10-9-22)15-7-8-16(17(21)11-15)14-5-3-2-4-6-14/h2-8,11-13H,9-10,22H2,1H3,(H3,23,24,25,26).
What are the key properties of 2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine?
2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine has a molecular weight of 367.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]guanidine is sourced from PubChem (CID 18693398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).