2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one

C23H23FN4O3 — CID 70082028

IUPAC2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one
SMILESCC(C)(c1ccc(-c2ccccc2)c(F)c1)c1cc(NC2=NCC(=O)N2CCO)on1
InChIInChI=1S/C23H23FN4O3/c1-23(2,16-8-9-17(18(24)12-16)15-6-4-3-5-7-15)19-13-20(31-27-19)26-22-25-14-21(30)28(22)10-11-29/h3-9,12-13,29H,10-11,14H2,1-2H3,(H,25,26)
InChIKeyAJBPOUJLWMVGNO-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.41
Rot. Bonds6

About 2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one

2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one (PubChem CID 70082028) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one
PubChem CID70082028
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one
SMILESCC(C)(c1ccc(-c2ccccc2)c(F)c1)c1cc(NC2=NCC(=O)N2CCO)on1
InChIInChI=1S/C23H23FN4O3/c1-23(2,16-8-9-17(18(24)12-16)15-6-4-3-5-7-15)19-13-20(31-27-19)26-22-25-14-21(30)28(22)10-11-29/h3-9,12-13,29H,10-11,14H2,1-2H3,(H,25,26)
InChIKeyAJBPOUJLWMVGNO-UHFFFAOYSA-N
XLogP3.41
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one?
The IUPAC name of 2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one (CID 70082028) is 2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one.
What is the SMILES notation for 2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one?
The canonical SMILES for 2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one is CC(C)(c1ccc(-c2ccccc2)c(F)c1)c1cc(NC2=NCC(=O)N2CCO)on1.
What is the InChIKey of 2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one?
The InChIKey is AJBPOUJLWMVGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-23(2,16-8-9-17(18(24)12-16)15-6-4-3-5-7-15)19-13-20(31-27-19)26-22-25-14-21(30)28(22)10-11-29/h3-9,12-13,29H,10-11,14H2,1-2H3,(H,25,26).
What are the key properties of 2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one?
2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one has a molecular weight of 422.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one is sourced from PubChem (CID 70082028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).