N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide

C24H28FN5O2 — CID 18693765

IUPACN'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(/N=C(\N)N2CCN(CCO)CC2)no1
InChIInChI=1S/C24H28FN5O2/c1-17(19-7-8-20(21(25)15-19)18-5-3-2-4-6-18)22-16-23(28-32-22)27-24(26)30-11-9-29(10-12-30)13-14-31/h2-8,15-17,31H,9-14H2,1H3,(H2,26,27,28)
InChIKeyJEUROLLDTXQBFN-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.19
Rot. Bonds6

About N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide

N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide (PubChem CID 18693765) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide
PubChem CID18693765
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC NameN'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(/N=C(\N)N2CCN(CCO)CC2)no1
InChIInChI=1S/C24H28FN5O2/c1-17(19-7-8-20(21(25)15-19)18-5-3-2-4-6-18)22-16-23(28-32-22)27-24(26)30-11-9-29(10-12-30)13-14-31/h2-8,15-17,31H,9-14H2,1H3,(H2,26,27,28)
InChIKeyJEUROLLDTXQBFN-UHFFFAOYSA-N
XLogP3.19
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.19
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'}

Analyze N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide 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 N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide (CID 18693765) is N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc(/N=C(\N)N2CCN(CCO)CC2)no1.
What is the InChIKey of N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide?
The InChIKey is JEUROLLDTXQBFN-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(28-32-22)27-24(26)30-11-9-29(10-12-30)13-14-31/h2-8,15-17,31H,9-14H2,1H3,(H2,26,27,28).
What are the key properties of N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide?
N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide has a molecular weight of 437.52 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 18693765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).