1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one

C23H17FN2O2 — CID 155424837

IUPAC1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one
SMILESO=C1CCC(c2ccccc2)N1c1ccc2c(-c3ccc(F)cc3)noc2c1
InChIInChI=1S/C23H17FN2O2/c24-17-8-6-16(7-9-17)23-19-11-10-18(14-21(19)28-25-23)26-20(12-13-22(26)27)15-4-2-1-3-5-15/h1-11,14,20H,12-13H2
InChIKeyAVUITGCTKFMNCH-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.50
Rot. Bonds3

About 1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one

1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one (PubChem CID 155424837) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one
PubChem CID155424837
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one
SMILESO=C1CCC(c2ccccc2)N1c1ccc2c(-c3ccc(F)cc3)noc2c1
InChIInChI=1S/C23H17FN2O2/c24-17-8-6-16(7-9-17)23-19-11-10-18(14-21(19)28-25-23)26-20(12-13-22(26)27)15-4-2-1-3-5-15/h1-11,14,20H,12-13H2
InChIKeyAVUITGCTKFMNCH-UHFFFAOYSA-N
XLogP5.50
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one (CID 155424837) is 1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one is O=C1CCC(c2ccccc2)N1c1ccc2c(-c3ccc(F)cc3)noc2c1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one?
The InChIKey is AVUITGCTKFMNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c24-17-8-6-16(7-9-17)23-19-11-10-18(14-21(19)28-25-23)26-20(12-13-22(26)27)15-4-2-1-3-5-15/h1-11,14,20H,12-13H2.
What are the key properties of 1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one?
1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one has a molecular weight of 372.40 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 155424837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).