N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide

C23H25FN4O — CID 54528546

IUPACN'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide
SMILESCC(C)(c1ccc(-c2ccccc2F)cc1)c1cc(N=C(N)N2CCCC2)on1
InChIInChI=1S/C23H25FN4O/c1-23(2,17-11-9-16(10-12-17)18-7-3-4-8-19(18)24)20-15-21(29-27-20)26-22(25)28-13-5-6-14-28/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H2,25,26)
InChIKeyYUWAMZBMLGAXII-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.85
Rot. Bonds4

About N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide

N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide (PubChem CID 54528546) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide
PubChem CID54528546
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide
SMILESCC(C)(c1ccc(-c2ccccc2F)cc1)c1cc(N=C(N)N2CCCC2)on1
InChIInChI=1S/C23H25FN4O/c1-23(2,17-11-9-16(10-12-17)18-7-3-4-8-19(18)24)20-15-21(29-27-20)26-22(25)28-13-5-6-14-28/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H2,25,26)
InChIKeyYUWAMZBMLGAXII-UHFFFAOYSA-N
XLogP4.85
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide (CID 54528546) is N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide is CC(C)(c1ccc(-c2ccccc2F)cc1)c1cc(N=C(N)N2CCCC2)on1.
What is the InChIKey of N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide?
The InChIKey is YUWAMZBMLGAXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-23(2,17-11-9-16(10-12-17)18-7-3-4-8-19(18)24)20-15-21(29-27-20)26-22(25)28-13-5-6-14-28/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H2,25,26).
What are the key properties of N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide?
N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide has a molecular weight of 392.48 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 54528546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).