N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide

C23H23FN4O3 — CID 70082029

IUPACN-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide
SMILESCC(C)(c1ccc(-c2ccccc2)c(F)c1)c1cc(NC(=O)CN2CNC(=O)C2)on1
InChIInChI=1S/C23H23FN4O3/c1-23(2,16-8-9-17(18(24)10-16)15-6-4-3-5-7-15)19-11-22(31-27-19)26-21(30)13-28-12-20(29)25-14-28/h3-11H,12-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyPBRXROPIICSVDV-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.13
Rot. Bonds6

About N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide

N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide (PubChem CID 70082029) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide
PubChem CID70082029
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC NameN-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide
SMILESCC(C)(c1ccc(-c2ccccc2)c(F)c1)c1cc(NC(=O)CN2CNC(=O)C2)on1
InChIInChI=1S/C23H23FN4O3/c1-23(2,16-8-9-17(18(24)10-16)15-6-4-3-5-7-15)19-11-22(31-27-19)26-21(30)13-28-12-20(29)25-14-28/h3-11H,12-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyPBRXROPIICSVDV-UHFFFAOYSA-N
XLogP3.13
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide (CID 70082029) is N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide is CC(C)(c1ccc(-c2ccccc2)c(F)c1)c1cc(NC(=O)CN2CNC(=O)C2)on1.
What is the InChIKey of N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide?
The InChIKey is PBRXROPIICSVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-23(2,16-8-9-17(18(24)10-16)15-6-4-3-5-7-15)19-11-22(31-27-19)26-21(30)13-28-12-20(29)25-14-28/h3-11H,12-14H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide?
N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide has a molecular weight of 422.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 70082029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).