1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one

C23H23FN4O3 — CID 166165749

IUPAC1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1F
InChIInChI=1S/C23H23FN4O3/c24-18-13-15(6-7-19(18)28-10-2-5-22(28)29)16-3-1-4-17(23(16)30)20-14-21(26-31-20)27-11-8-25-9-12-27/h1,3-4,6-7,13-14,25,30H,2,5,8-12H2
InChIKeyVFGUMYAXKAUYCM-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.39
Rot. Bonds4

About 1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one

1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one (PubChem CID 166165749) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one
PubChem CID166165749
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1F
InChIInChI=1S/C23H23FN4O3/c24-18-13-15(6-7-19(18)28-10-2-5-22(28)29)16-3-1-4-17(23(16)30)20-14-21(26-31-20)27-11-8-25-9-12-27/h1,3-4,6-7,13-14,25,30H,2,5,8-12H2
InChIKeyVFGUMYAXKAUYCM-UHFFFAOYSA-N
XLogP3.39
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one (CID 166165749) is 1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one?
The InChIKey is VFGUMYAXKAUYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-18-13-15(6-7-19(18)28-10-2-5-22(28)29)16-3-1-4-17(23(16)30)20-14-21(26-31-20)27-11-8-25-9-12-27/h1,3-4,6-7,13-14,25,30H,2,5,8-12H2.
What are the key properties of 1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one?
1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one has a molecular weight of 422.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 166165749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).