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

C23H24N4O3 — CID 166166180

IUPAC1-[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)cc1
InChIInChI=1S/C23H24N4O3/c28-22-5-2-12-27(22)17-8-6-16(7-9-17)18-3-1-4-19(23(18)29)20-15-21(25-30-20)26-13-10-24-11-14-26/h1,3-4,6-9,15,24,29H,2,5,10-14H2
InChIKeyHIPBYFRIVBFFKE-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.25
Rot. Bonds4

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

1-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one (PubChem CID 166166180) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one
PubChem CID166166180
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-[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)cc1
InChIInChI=1S/C23H24N4O3/c28-22-5-2-12-27(22)17-8-6-16(7-9-17)18-3-1-4-19(23(18)29)20-15-21(25-30-20)26-13-10-24-11-14-26/h1,3-4,6-9,15,24,29H,2,5,10-14H2
InChIKeyHIPBYFRIVBFFKE-UHFFFAOYSA-N
XLogP3.25
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,6-difluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one
CID 167333442
N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide;hydrobromide
CID 167333600
5-acetyl-7-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 175832333
N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride
CID 167333386
1-acetyl-7-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one;2,2,2-trifluoroacetic acid
CID 175832303
1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one
CID 82513628
N-[2-ethoxy-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 175832261
N-[2-chloro-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 175832282
N-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide
CID 166166503
1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one
CID 166165564
methyl N-[3-hydroxy-4-phenyl-2-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]carbamate;2,2,2-trifluoroacetic acid
CID 175539722
1-[4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]-2-fluorophenyl]pyrrolidin-2-one
CID 166167345

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one (CID 166166180) is 1-[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-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[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)cc1.
What is the InChIKey of 1-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one?
The InChIKey is HIPBYFRIVBFFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-22-5-2-12-27(22)17-8-6-16(7-9-17)18-3-1-4-19(23(18)29)20-15-21(25-30-20)26-13-10-24-11-14-26/h1,3-4,6-9,15,24,29H,2,5,10-14H2.
What are the key properties of 1-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one?
1-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one has a molecular weight of 404.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 166166180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).